8-methyl-2-pentyl-3H-quinazolin-4-one

C14H18N2O — CID 137279746

IUPAC8-methyl-2-pentyl-3H-quinazolin-4-one
SMILESCCCCCc1nc2c(C)cccc2c(=O)[nH]1
InChIInChI=1S/C14H18N2O/c1-3-4-5-9-12-15-13-10(2)7-6-8-11(13)14(17)16-12/h6-8H,3-5,9H2,1-2H3,(H,15,16,17)
InChIKeyAODCVYXJKWVHAX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.96
Rot. Bonds4

About 8-methyl-2-pentyl-3H-quinazolin-4-one

8-methyl-2-pentyl-3H-quinazolin-4-one (PubChem CID 137279746) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 8-methyl-2-pentyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-pentyl-3H-quinazolin-4-one
PubChem CID137279746
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name8-methyl-2-pentyl-3H-quinazolin-4-one
SMILESCCCCCc1nc2c(C)cccc2c(=O)[nH]1
InChIInChI=1S/C14H18N2O/c1-3-4-5-9-12-15-13-10(2)7-6-8-11(13)14(17)16-12/h6-8H,3-5,9H2,1-2H3,(H,15,16,17)
InChIKeyAODCVYXJKWVHAX-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one
CID 145099400
2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 135700024
8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
CID 135531195
3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid
CID 135966774
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-8-methyl-3H-quinazolin-4-one
CID 136952861
5-bromo-2-pentyl-3H-quinazolin-4-one
CID 150394937
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
2-(cyclobutylmethylsulfanylmethyl)-8-methyl-3H-quinazolin-4-one
CID 159857248
2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one
CID 160888674
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 135566578
2-undecyl-1H-benzimidazol-4-amine
CID 65427678

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-pentyl-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-pentyl-3H-quinazolin-4-one (CID 137279746) is 8-methyl-2-pentyl-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-pentyl-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-pentyl-3H-quinazolin-4-one is CCCCCc1nc2c(C)cccc2c(=O)[nH]1.
What is the InChIKey of 8-methyl-2-pentyl-3H-quinazolin-4-one?
The InChIKey is AODCVYXJKWVHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-5-9-12-15-13-10(2)7-6-8-11(13)14(17)16-12/h6-8H,3-5,9H2,1-2H3,(H,15,16,17).
What are the key properties of 8-methyl-2-pentyl-3H-quinazolin-4-one?
8-methyl-2-pentyl-3H-quinazolin-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-pentyl-3H-quinazolin-4-one is sourced from PubChem (CID 137279746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).