N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide

C28H27ClN4O5 — CID 15989280

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C28H27ClN4O5/c1-38-22-6-4-5-21(17-22)31-26(35)18-33-24-8-3-2-7-23(24)27(36)32(28(33)37)16-14-25(34)30-15-13-19-9-11-20(29)12-10-19/h2-12,17H,13-16,18H2,1H3,(H,30,34)(H,31,35)
InChIKeyQNVFJUMCNYCMBJ-UHFFFAOYSA-N
MW535.00 g/mol
LogP3.21
Rot. Bonds10

About N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide

N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide (PubChem CID 15989280) has the molecular formula C28H27ClN4O5 and a molecular weight of 535.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
PubChem CID15989280
Molecular FormulaC28H27ClN4O5
Molecular Weight535.00 g/mol
Exact Mass534.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C28H27ClN4O5/c1-38-22-6-4-5-21(17-22)31-26(35)18-33-24-8-3-2-7-23(24)27(36)32(28(33)37)16-14-25(34)30-15-13-19-9-11-20(29)12-10-19/h2-12,17H,13-16,18H2,1H3,(H,30,34)(H,31,35)
InChIKeyQNVFJUMCNYCMBJ-UHFFFAOYSA-N
XLogP3.21
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.00
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 16193993
3-Benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2887831
2-[6,7-Dimethoxy-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazolin-1-YL]-N-phenylacetamide
CID 15989492
4-[[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 15989634
2-{3-[(2-Chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-YL}-N-(3,5-dimethoxyphenyl)acetamide
CID 15989677
2-{3-[(2-Chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-YL}-N-(3,4-dimethylphenyl)acetamide
CID 15989681
2-[3-(2-chlorobenzyl)-6,7-dimethoxy-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]-N-(3-methoxypropyl)acetamide
CID 16187084
1-[2-(sec-butylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-(4-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 16193659
N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide
CID 151887635
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 155317260
2-[1-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 155322874
N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 155322902

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide (CID 15989280) is N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide is COc1cccc(NC(=O)Cn2c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c(=O)c3ccccc32)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The InChIKey is QNVFJUMCNYCMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O5/c1-38-22-6-4-5-21(17-22)31-26(35)18-33-24-8-3-2-7-23(24)27(36)32(28(33)37)16-14-25(34)30-15-13-19-9-11-20(29)12-10-19/h2-12,17H,13-16,18H2,1H3,(H,30,34)(H,31,35).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide has a molecular weight of 535.00 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide is sourced from PubChem (CID 15989280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).