N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide

C23H31N3O2 — CID 46484188

IUPACN,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc2ncn(CC(=O)N(C3CCCCC3)C3CCCCC3)c(=O)c2c1
InChIInChI=1S/C23H31N3O2/c1-17-12-13-21-20(14-17)23(28)25(16-24-21)15-22(27)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-14,16,18-19H,2-11,15H2,1H3
InChIKeyQOMMGDUNQCPICR-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.20
Rot. Bonds4

About N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide

N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 46484188) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID46484188
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc2ncn(CC(=O)N(C3CCCCC3)C3CCCCC3)c(=O)c2c1
InChIInChI=1S/C23H31N3O2/c1-17-12-13-21-20(14-17)23(28)25(16-24-21)15-22(27)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-14,16,18-19H,2-11,15H2,1H3
InChIKeyQOMMGDUNQCPICR-UHFFFAOYSA-N
XLogP4.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-dimethyl-2-oxobutyl)-6-methylquinazolin-4-one
CID 47037899
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 24562248
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide
CID 134061062
2-(7-chloro-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42922496
N,N-dicyclohexyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 56510273
3-ethyl-6-methylquinazolin-4-one
CID 70641598
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51951419
6-methyl-3-(methylaminomethyl)quinazolin-4-one
CID 117264007
2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-cyclopropylamino]propanoic acid
CID 122067087
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55390306
(2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51951421

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide (CID 46484188) is N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1ccc2ncn(CC(=O)N(C3CCCCC3)C3CCCCC3)c(=O)c2c1.
What is the InChIKey of N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is QOMMGDUNQCPICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17-12-13-21-20(14-17)23(28)25(16-24-21)15-22(27)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-14,16,18-19H,2-11,15H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46484188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).