2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one

C28H30N4O2 — CID 11669670

IUPAC2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one
SMILESCc1nc2ccc(-c3ccncc3)cc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C28H30N4O2/c1-21-30-27-11-6-23(22-12-14-29-15-13-22)20-26(27)28(33)32(21)24-7-9-25(10-8-24)34-19-5-18-31-16-3-2-4-17-31/h6-15,20H,2-5,16-19H2,1H3
InChIKeyIQLXQODFPMDMMW-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.01
Rot. Bonds7

About 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one

2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one (PubChem CID 11669670) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one
PubChem CID11669670
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one
SMILESCc1nc2ccc(-c3ccncc3)cc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C28H30N4O2/c1-21-30-27-11-6-23(22-12-14-29-15-13-22)20-26(27)28(33)32(21)24-7-9-25(10-8-24)34-19-5-18-31-16-3-2-4-17-31/h6-15,20H,2-5,16-19H2,1H3
InChIKeyIQLXQODFPMDMMW-UHFFFAOYSA-N
XLogP5.01
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11509385
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
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
3-[2-(2-fluoroethoxy)-4-(3-piperidin-1-ylpropoxy)phenyl]-2-methylpyrido[4,3-d]pyrimidin-4-one
CID 87677054
3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline
CID 145305813
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-8-(trifluoromethyl)quinazolin-4-one
CID 24951350

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one?
The IUPAC name of 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one (CID 11669670) is 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one?
The canonical SMILES for 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one is Cc1nc2ccc(-c3ccncc3)cc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one?
The InChIKey is IQLXQODFPMDMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-21-30-27-11-6-23(22-12-14-29-15-13-22)20-26(27)28(33)32(21)24-7-9-25(10-8-24)34-19-5-18-31-16-3-2-4-17-31/h6-15,20H,2-5,16-19H2,1H3.
What are the key properties of 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one?
2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one has a molecular weight of 454.57 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one is sourced from PubChem (CID 11669670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).