2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide

C14H13ClN4O2 — CID 30835547

IUPAC2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)Cn1cnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C14H13ClN4O2/c1-18(6-2-5-16)13(20)8-19-9-17-12-7-10(15)3-4-11(12)14(19)21/h3-4,7,9H,2,6,8H2,1H3
InChIKeyTYVVOESTQYKCLC-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.42
Rot. Bonds4

About 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide

2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 30835547) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID30835547
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)Cn1cnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C14H13ClN4O2/c1-18(6-2-5-16)13(20)8-19-9-17-12-7-10(15)3-4-11(12)14(19)21/h3-4,7,9H,2,6,8H2,1H3
InChIKeyTYVVOESTQYKCLC-UHFFFAOYSA-N
XLogP1.42
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-2-(5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 99798757
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61225137
2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7488484
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 18101501
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide
CID 1280269
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 55152553
N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 86890740
2-(7-chloro-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42922496
3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
CID 45371352
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7488504

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide (CID 30835547) is 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide is CN(CCC#N)C(=O)Cn1cnc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is TYVVOESTQYKCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-18(6-2-5-16)13(20)8-19-9-17-12-7-10(15)3-4-11(12)14(19)21/h3-4,7,9H,2,6,8H2,1H3.
What are the key properties of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide?
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 304.74 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 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-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 30835547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).