3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one

C15H21N3O — CID 71007382

IUPAC3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCCC(C)(C)N)cnc12
InChIInChI=1S/C15H21N3O/c1-11-6-4-7-12-13(11)17-10-18(14(12)19)9-5-8-15(2,3)16/h4,6-7,10H,5,8-9,16H2,1-3H3
InChIKeyGLNRFJPNZSCOIR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.22
Rot. Bonds4

About 3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one

3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one (PubChem CID 71007382) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one
PubChem CID71007382
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCCC(C)(C)N)cnc12
InChIInChI=1S/C15H21N3O/c1-11-6-4-7-12-13(11)17-10-18(14(12)19)9-5-8-15(2,3)16/h4,6-7,10H,5,8-9,16H2,1-3H3
InChIKeyGLNRFJPNZSCOIR-UHFFFAOYSA-N
XLogP2.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119607074
4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
CID 17392331
N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 35860309
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
CID 46550537
methyl 5-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate
CID 24555893
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one
CID 18132606

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one?
The IUPAC name of 3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one (CID 71007382) is 3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one.
What is the SMILES notation for 3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one?
The canonical SMILES for 3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(CCCC(C)(C)N)cnc12.
What is the InChIKey of 3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one?
The InChIKey is GLNRFJPNZSCOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-6-4-7-12-13(11)17-10-18(14(12)19)9-5-8-15(2,3)16/h4,6-7,10H,5,8-9,16H2,1-3H3.
What are the key properties of 3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one?
3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one is sourced from PubChem (CID 71007382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).