3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one

C24H29N3O2 — CID 11581919

IUPAC3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-19-25-23-10-5-4-9-22(23)24(28)27(19)20-11-13-21(14-12-20)29-18-8-17-26-15-6-2-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
InChIKeyYJAKSFIWYQQJBZ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.34
Rot. Bonds6

About 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one

3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one (PubChem CID 11581919) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
PubChem CID11581919
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-19-25-23-10-5-4-9-22(23)24(28)27(19)20-11-13-21(14-12-20)29-18-8-17-26-15-6-2-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
InChIKeyYJAKSFIWYQQJBZ-UHFFFAOYSA-N
XLogP4.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11509385
5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 23151336
7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11596368
2,5-dimethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11667985
2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11583574
2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one
CID 11669670
N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-6-yl]methanesulfonamide
CID 11547318
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-8-(trifluoromethyl)quinazolin-4-one
CID 24951350
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;3-[4-[3-(azetidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one;3-[4-(1-cyclopropylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 159403162
6-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one
CID 150607946
N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-7-yl]hexanamide
CID 11576791
3-[4-[3-(hexylamino)propoxy]phenyl]-2-methylquinazolin-4-one
CID 141120873

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one (CID 11581919) is 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCCC2)cc1.
What is the InChIKey of 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one?
The InChIKey is YJAKSFIWYQQJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-25-23-10-5-4-9-22(23)24(28)27(19)20-11-13-21(14-12-20)29-18-8-17-26-15-6-2-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3.
What are the key properties of 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one?
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 11581919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).