N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide

C18H15Cl2N3O3 — CID 24528411

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H15Cl2N3O3/c1-10-5-15(16(26-2)7-13(10)20)22-17(24)8-23-9-21-14-6-11(19)3-4-12(14)18(23)25/h3-7,9H,8H2,1-2H3,(H,22,24)
InChIKeyPQQROIRESJNCGM-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.66
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 24528411) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide
PubChem CID24528411
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H15Cl2N3O3/c1-10-5-15(16(26-2)7-13(10)20)22-17(24)8-23-9-21-14-6-11(19)3-4-12(14)18(23)25/h3-7,9H,8H2,1-2H3,(H,22,24)
InChIKeyPQQROIRESJNCGM-UHFFFAOYSA-N
XLogP3.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 24528389
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
N-(5-chloro-2-methoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110430077
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020114
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide
CID 20970736
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
2-(7-chloro-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18227093
N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227403
N-(2-methoxy-5-nitrophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4034361
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide (CID 24528411) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is PQQROIRESJNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-10-5-15(16(26-2)7-13(10)20)22-17(24)8-23-9-21-14-6-11(19)3-4-12(14)18(23)25/h3-7,9H,8H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 392.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 24528411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).