2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one

C24H29N3O2 — CID 11509385

IUPAC2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1ccc2nc(C)n(-c3ccc(OCCCN4CCCCC4)cc3)c(=O)c2c1
InChIInChI=1S/C24H29N3O2/c1-18-7-12-23-22(17-18)24(28)27(19(2)25-23)20-8-10-21(11-9-20)29-16-6-15-26-13-4-3-5-14-26/h7-12,17H,3-6,13-16H2,1-2H3
InChIKeyUSYVSYZHYAGWHS-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.26
Rot. Bonds6

About 2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one

2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 11509385) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID11509385
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1ccc2nc(C)n(-c3ccc(OCCCN4CCCCC4)cc3)c(=O)c2c1
InChIInChI=1S/C24H29N3O2/c1-18-7-12-23-22(17-18)24(28)27(19(2)25-23)20-8-10-21(11-9-20)29-16-6-15-26-13-4-3-5-14-26/h7-12,17H,3-6,13-16H2,1-2H3
InChIKeyUSYVSYZHYAGWHS-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11583574
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
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
7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11596368
5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 23151336
2,5-dimethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11667985
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
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-8-(trifluoromethyl)quinazolin-4-one
CID 24951350
3-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2,6-dimethylquinazolin-4-one
CID 157234450
2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
CID 16659553

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 11509385) is 2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is Cc1ccc2nc(C)n(-c3ccc(OCCCN4CCCCC4)cc3)c(=O)c2c1.
What is the InChIKey of 2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is USYVSYZHYAGWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-7-12-23-22(17-18)24(28)27(19(2)25-23)20-8-10-21(11-9-20)29-16-6-15-26-13-4-3-5-14-26/h7-12,17H,3-6,13-16H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 11509385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).