1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide

C182H189ClN24O35 — CID 159156087

IUPAC1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CC2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21.CCOc1ccc(NC(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3ccc(C(=O)NCCc4ccccc4)cc32)cc1.CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccc(C(=O)NC4CCCC4)cc32)cc1.CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NC3CCCC3)cc21.COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccc(C(=O)NC4CCCC4)cc32)cc1.Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CC2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21
InChIInChI=1S/C32H33ClN4O6.C32H34N4O6.C32H34N4O5.2C29H30N4O6.C28H28N4O6/c1-2-42-28-13-11-23(33)18-26(28)35-29(38)20-36-27-17-22(30(39)34-15-14-21-7-4-3-5-8-21)10-12-25(27)31(40)37(32(36)41)19-24-9-6-16-43-24;1-2-41-25-13-11-24(12-14-25)34-29(37)21-35-28-19-23(30(38)33-17-16-22-7-4-3-5-8-22)10-15-27(28)31(39)36(32(35)40)20-26-9-6-18-42-26;1-21-8-6-9-22(2)29(21)34-28(37)20-35-27-18-24(30(38)33-16-15-23-10-4-3-5-11-23)13-14-26(27)31(39)36(32(35)40)19-25-12-7-17-41-25;1-2-38-25-12-6-5-11-23(25)31-26(34)18-32-24-16-19(27(35)30-20-8-3-4-9-20)13-14-22(24)28(36)33(29(32)37)17-21-10-7-15-39-21;1-2-38-22-12-10-21(11-13-22)30-26(34)18-32-25-16-19(27(35)31-20-6-3-4-7-20)9-14-24(25)28(36)33(29(32)37)17-23-8-5-15-39-23;1-37-21-11-9-20(10-12-21)29-25(33)17-31-24-15-18(26(34)30-19-5-2-3-6-19)8-13-23(24)27(35)32(28(31)36)16-22-7-4-14-38-22/h3-5,7-8,10-13,17-18,24H,2,6,9,14-16,19-20H2,1H3,(H,34,39)(H,35,38);3-5,7-8,10-15,19,26H,2,6,9,16-18,20-21H2,1H3,(H,33,38)(H,34,37);3-6,8-11,13-14,18,25H,7,12,15-17,19-20H2,1-2H3,(H,33,38)(H,34,37);5-7,10-16,20H,2-4,8-9,17-18H2,1H3,(H,30,35)(H,31,34);5,8-16,20H,2-4,6-7,17-18H2,1H3,(H,30,34)(H,31,35);4,7-15,19H,2-3,5-6,16-17H2,1H3,(H,29,33)(H,30,34)
InChIKeyKJXHMTYSZGGGAV-UHFFFAOYSA-N
MW3308.10 g/mol
LogP21.08
Rot. Bonds57

About 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide

1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide (PubChem CID 159156087) has the molecular formula C182H189ClN24O35 and a molecular weight of 3308.10 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide
PubChem CID159156087
Molecular FormulaC182H189ClN24O35
Molecular Weight3308.10 g/mol
Exact Mass3305.34
IUPAC Name1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CC2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21.CCOc1ccc(NC(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3ccc(C(=O)NCCc4ccccc4)cc32)cc1.CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccc(C(=O)NC4CCCC4)cc32)cc1.CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NC3CCCC3)cc21.COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccc(C(=O)NC4CCCC4)cc32)cc1.Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CC2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21
InChIInChI=1S/C32H33ClN4O6.C32H34N4O6.C32H34N4O5.2C29H30N4O6.C28H28N4O6/c1-2-42-28-13-11-23(33)18-26(28)35-29(38)20-36-27-17-22(30(39)34-15-14-21-7-4-3-5-8-21)10-12-25(27)31(40)37(32(36)41)19-24-9-6-16-43-24;1-2-41-25-13-11-24(12-14-25)34-29(37)21-35-28-19-23(30(38)33-17-16-22-7-4-3-5-8-22)10-15-27(28)31(39)36(32(35)40)20-26-9-6-18-42-26;1-21-8-6-9-22(2)29(21)34-28(37)20-35-27-18-24(30(38)33-16-15-23-10-4-3-5-11-23)13-14-26(27)31(39)36(32(35)40)19-25-12-7-17-41-25;1-2-38-25-12-6-5-11-23(25)31-26(34)18-32-24-16-19(27(35)30-20-8-3-4-9-20)13-14-22(24)28(36)33(29(32)37)17-21-10-7-15-39-21;1-2-38-22-12-10-21(11-13-22)30-26(34)18-32-25-16-19(27(35)31-20-6-3-4-7-20)9-14-24(25)28(36)33(29(32)37)17-23-8-5-15-39-23;1-37-21-11-9-20(10-12-21)29-25(33)17-31-24-15-18(26(34)30-19-5-2-3-6-19)8-13-23(24)27(35)32(28(31)36)16-22-7-4-14-38-22/h3-5,7-8,10-13,17-18,24H,2,6,9,14-16,19-20H2,1H3,(H,34,39)(H,35,38);3-5,7-8,10-15,19,26H,2,6,9,16-18,20-21H2,1H3,(H,33,38)(H,34,37);3-6,8-11,13-14,18,25H,7,12,15-17,19-20H2,1-2H3,(H,33,38)(H,34,37);5-7,10-16,20H,2-4,8-9,17-18H2,1H3,(H,30,35)(H,31,34);5,8-16,20H,2-4,6-7,17-18H2,1H3,(H,30,34)(H,31,35);4,7-15,19H,2-3,5-6,16-17H2,1H3,(H,29,33)(H,30,34)
InChIKeyKJXHMTYSZGGGAV-UHFFFAOYSA-N
XLogP21.08
TPSA726.46 Ų
H-Bond Donors12
H-Bond Acceptors47
Rotatable Bonds57
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003308.10
LogP ≤ 521.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1047

Analyze 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide with MolForge

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Related Compounds

1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 46247897
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 22430102
ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate
CID 98209738
1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxo-3-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 98194424
3-(furan-2-ylmethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 20857253
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 46254640
3-(furan-2-ylmethyl)-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 92656095
1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(4-ethylphenyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 46254602
2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3525347
1-[2-(4-bromoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 46254592
N-(2,4-dimethoxyphenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429909
2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 15989579

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide?
The IUPAC name of 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide (CID 159156087) is 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide.
What is the SMILES notation for 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide?
The canonical SMILES for 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide is CCOc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CC2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21.CCOc1ccc(NC(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3ccc(C(=O)NCCc4ccccc4)cc32)cc1.CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccc(C(=O)NC4CCCC4)cc32)cc1.CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NC3CCCC3)cc21.COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccc(C(=O)NC4CCCC4)cc32)cc1.Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CC2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21.
What is the InChIKey of 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide?
The InChIKey is KJXHMTYSZGGGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN4O6.C32H34N4O6.C32H34N4O5.2C29H30N4O6.C28H28N4O6/c1-2-42-28-13-11-23(33)18-26(28)35-29(38)20-36-27-17-22(30(39)34-15-14-21-7-4-3-5-8-21)10-12-25(27)31(40)37(32(36)41)19-24-9-6-16-43-24;1-2-41-25-13-11-24(12-14-25)34-29(37)21-35-28-19-23(30(38)33-17-16-22-7-4-3-5-8-22)10-15-27(28)31(39)36(32(35)40)20-26-9-6-18-42-26;1-21-8-6-9-22(2)29(21)34-28(37)20-35-27-18-24(30(38)33-16-15-23-10-4-3-5-11-23)13-14-26(27)31(39)36(32(35)40)19-25-12-7-17-41-25;1-2-38-25-12-6-5-11-23(25)31-26(34)18-32-24-16-19(27(35)30-20-8-3-4-9-20)13-14-22(24)28(36)33(29(32)37)17-21-10-7-15-39-21;1-2-38-22-12-10-21(11-13-22)30-26(34)18-32-25-16-19(27(35)31-20-6-3-4-7-20)9-14-24(25)28(36)33(29(32)37)17-23-8-5-15-39-23;1-37-21-11-9-20(10-12-21)29-25(33)17-31-24-15-18(26(34)30-19-5-2-3-6-19)8-13-23(24)27(35)32(28(31)36)16-22-7-4-14-38-22/h3-5,7-8,10-13,17-18,24H,2,6,9,14-16,19-20H2,1H3,(H,34,39)(H,35,38);3-5,7-8,10-15,19,26H,2,6,9,16-18,20-21H2,1H3,(H,33,38)(H,34,37);3-6,8-11,13-14,18,25H,7,12,15-17,19-20H2,1-2H3,(H,33,38)(H,34,37);5-7,10-16,20H,2-4,8-9,17-18H2,1H3,(H,30,35)(H,31,34);5,8-16,20H,2-4,6-7,17-18H2,1H3,(H,30,34)(H,31,35);4,7-15,19H,2-3,5-6,16-17H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide?
1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide has a molecular weight of 3308.10 g/mol, XLogP of 21.08, 57 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide is sourced from PubChem (CID 159156087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).