2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide

C18H20ClN3O2 — CID 18101501

IUPAC2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1cnc2cc(Cl)ccc2c1=O)C1=CCCCC1
InChIInChI=1S/C18H20ClN3O2/c1-2-22(14-6-4-3-5-7-14)17(23)11-21-12-20-16-10-13(19)8-9-15(16)18(21)24/h6,8-10,12H,2-5,7,11H2,1H3
InChIKeyVCTNOJCPUGOOMI-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.36
Rot. Bonds4

About 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide

2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 18101501) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID18101501
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1cnc2cc(Cl)ccc2c1=O)C1=CCCCC1
InChIInChI=1S/C18H20ClN3O2/c1-2-22(14-6-4-3-5-7-14)17(23)11-21-12-20-16-10-13(19)8-9-15(16)18(21)24/h6,8-10,12H,2-5,7,11H2,1H3
InChIKeyVCTNOJCPUGOOMI-UHFFFAOYSA-N
XLogP3.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8607699
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
CID 53499149
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 30835547
2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 30214253
ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652933
2-(7-chloro-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42922496
N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 18127614
(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide
CID 39011474
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 8522457
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8632561

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 18101501) is 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)Cn1cnc2cc(Cl)ccc2c1=O)C1=CCCCC1.
What is the InChIKey of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is VCTNOJCPUGOOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-22(14-6-4-3-5-7-14)17(23)11-21-12-20-16-10-13(19)8-9-15(16)18(21)24/h6,8-10,12H,2-5,7,11H2,1H3.
What are the key properties of 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 345.83 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 18101501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).