N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide

C16H23N3O2 — CID 4891724

IUPACN-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ncc2c(n1)CCCC2=O
InChIInChI=1S/C16H23N3O2/c1-3-6-11(7-4-2)15(21)19-16-17-10-12-13(18-16)8-5-9-14(12)20/h10-11H,3-9H2,1-2H3,(H,17,18,19,21)
InChIKeyZUQVFGNHDSCCMI-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.15
Rot. Bonds6

About N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide

N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide (PubChem CID 4891724) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide
PubChem CID4891724
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ncc2c(n1)CCCC2=O
InChIInChI=1S/C16H23N3O2/c1-3-6-11(7-4-2)15(21)19-16-17-10-12-13(18-16)8-5-9-14(12)20/h10-11H,3-9H2,1-2H3,(H,17,18,19,21)
InChIKeyZUQVFGNHDSCCMI-UHFFFAOYSA-N
XLogP3.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl piperidine-1-carbodithioate
CID 1996421
2-Amino-5,6,7,8-tetrahydroquinazolin-5-one
CID 5200220
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-phenylpropanamide
CID 683031
N-[(2Z)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]pentanamide
CID 1594930
2-(Cyclopentylamino)-7,7-dimethyl-6,7,8-trihydroquinazolin-5-one
CID 899236
2-(Cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 939072
2-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 2772366
2-amino-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 3426161
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methylbutanamide
CID 658911
2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl diethylcarbamodithioate
CID 3896874
2-Butyl-N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl)cyclopropanecarboxamide
CID 615629
7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 57389235

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide?
The IUPAC name of N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide (CID 4891724) is N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide.
What is the SMILES notation for N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide?
The canonical SMILES for N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ncc2c(n1)CCCC2=O.
What is the InChIKey of N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide?
The InChIKey is ZUQVFGNHDSCCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-6-11(7-4-2)15(21)19-16-17-10-12-13(18-16)8-5-9-14(12)20/h10-11H,3-9H2,1-2H3,(H,17,18,19,21).
What are the key properties of N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide?
N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide has a molecular weight of 289.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-propylpentanamide is sourced from PubChem (CID 4891724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).