2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide

C17H11ClN4O2 — CID 1280269

IUPAC2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C17H11ClN4O2/c18-12-4-5-14-15(7-12)20-10-22(17(14)24)9-16(23)21-13-3-1-2-11(6-13)8-19/h1-7,10H,9H2,(H,21,23)
InChIKeyRBZOLBVVUUGINC-UHFFFAOYSA-N
MW338.75 g/mol
LogP2.56
Rot. Bonds3

About 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide

2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide (PubChem CID 1280269) has the molecular formula C17H11ClN4O2 and a molecular weight of 338.75 g/mol. Its IUPAC name is 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide
PubChem CID1280269
Molecular FormulaC17H11ClN4O2
Molecular Weight338.75 g/mol
Exact Mass338.06
IUPAC Name2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C17H11ClN4O2/c18-12-4-5-14-15(7-12)20-10-22(17(14)24)9-16(23)21-13-3-1-2-11(6-13)8-19/h1-7,10H,9H2,(H,21,23)
InChIKeyRBZOLBVVUUGINC-UHFFFAOYSA-N
XLogP2.56
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602361
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224567
2-(7-chloro-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18227093
N-(3-chlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 4126183
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 9355991
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-cyanophenyl)acetamide
CID 112770422
2-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 62646994
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide (CID 1280269) is 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1.
What is the InChIKey of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide?
The InChIKey is RBZOLBVVUUGINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2/c18-12-4-5-14-15(7-12)20-10-22(17(14)24)9-16(23)21-13-3-1-2-11(6-13)8-19/h1-7,10H,9H2,(H,21,23).
What are the key properties of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide?
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide has a molecular weight of 338.75 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 1280269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).