N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide

C26H28ClN3O6 — CID 158027386

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2c(=O)n(CCCC(=O)C3CCC3)c(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C26H28ClN3O6/c1-35-22-14-23(36-2)19(13-18(22)27)28-24(32)15-30-20-10-4-3-9-17(20)25(33)29(26(30)34)12-6-11-21(31)16-7-5-8-16/h3-4,9-10,13-14,16H,5-8,11-12,15H2,1-2H3,(H,28,32)
InChIKeyFGTLTPURYRHZGR-UHFFFAOYSA-N
MW513.98 g/mol
LogP3.62
Rot. Bonds10

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 158027386) has the molecular formula C26H28ClN3O6 and a molecular weight of 513.98 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID158027386
Molecular FormulaC26H28ClN3O6
Molecular Weight513.98 g/mol
Exact Mass513.17
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2c(=O)n(CCCC(=O)C3CCC3)c(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C26H28ClN3O6/c1-35-22-14-23(36-2)19(13-18(22)27)28-24(32)15-30-20-10-4-3-9-17(20)25(33)29(26(30)34)12-6-11-21(31)16-7-5-8-16/h3-4,9-10,13-14,16H,5-8,11-12,15H2,1-2H3,(H,28,32)
InChIKeyFGTLTPURYRHZGR-UHFFFAOYSA-N
XLogP3.62
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.98
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide
CID 155322951
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 25165041
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-morpholin-4-yl-2-oxopentyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 160804593
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[3-(4-hydroxycyclohexyl)-2-oxopropyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 158106636
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 46247876
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 59317683
2-[3-[(5R)-5-amino-3-imino-2-oxohexyl]-2,4-dioxoquinazolin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 174688957
N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50763044
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
2-[3-(2-hydroxyethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53371249
5-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 22429577
4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide
CID 3238930

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide (CID 158027386) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide is COc1cc(OC)c(NC(=O)Cn2c(=O)n(CCCC(=O)C3CCC3)c(=O)c3ccccc32)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is FGTLTPURYRHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O6/c1-35-22-14-23(36-2)19(13-18(22)27)28-24(32)15-30-20-10-4-3-9-17(20)25(33)29(26(30)34)12-6-11-21(31)16-7-5-8-16/h3-4,9-10,13-14,16H,5-8,11-12,15H2,1-2H3,(H,28,32).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 513.98 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 158027386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).