1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide

C30H25FN4O5 — CID 22430102

IUPAC1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
SMILESO=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21)Nc1ccccc1F
InChIInChI=1S/C30H25FN4O5/c31-24-10-4-5-11-25(24)33-27(36)19-34-26-17-21(28(37)32-15-14-20-7-2-1-3-8-20)12-13-23(26)29(38)35(30(34)39)18-22-9-6-16-40-22/h1-13,16-17H,14-15,18-19H2,(H,32,37)(H,33,36)
InChIKeyRLJHWDBAKYAIMG-UHFFFAOYSA-N
MW540.55 g/mol
LogP3.55
Rot. Bonds9

About 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide

1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide (PubChem CID 22430102) has the molecular formula C30H25FN4O5 and a molecular weight of 540.55 g/mol. Its IUPAC name is 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
PubChem CID22430102
Molecular FormulaC30H25FN4O5
Molecular Weight540.55 g/mol
Exact Mass540.18
IUPAC Name1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
SMILESO=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21)Nc1ccccc1F
InChIInChI=1S/C30H25FN4O5/c31-24-10-4-5-11-25(24)33-27(36)19-34-26-17-21(28(37)32-15-14-20-7-2-1-3-8-20)12-13-23(26)29(38)35(30(34)39)18-22-9-6-16-40-22/h1-13,16-17H,14-15,18-19H2,(H,32,37)(H,33,36)
InChIKeyRLJHWDBAKYAIMG-UHFFFAOYSA-N
XLogP3.55
TPSA115.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.55
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 20857253
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-(2-ethylanilino)-2-oxoethyl]-2,4-dioxo-3-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 98194424
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 46247897
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-(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
3-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide
CID 15989537
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429609
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22429523
1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(4-ethylphenyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 46254602
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide?
The IUPAC name of 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide (CID 22430102) is 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide.
What is the SMILES notation for 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide?
The canonical SMILES for 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide is O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21)Nc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide?
The InChIKey is RLJHWDBAKYAIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O5/c31-24-10-4-5-11-25(24)33-27(36)19-34-26-17-21(28(37)32-15-14-20-7-2-1-3-8-20)12-13-23(26)29(38)35(30(34)39)18-22-9-6-16-40-22/h1-13,16-17H,14-15,18-19H2,(H,32,37)(H,33,36).
What are the key properties of 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide?
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide has a molecular weight of 540.55 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide is sourced from PubChem (CID 22430102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).