2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one

C30H33N3O2 — CID 11583574

IUPAC2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1cccc(-c2ccc3nc(C)n(-c4ccc(OCCCN5CCCCC5)cc4)c(=O)c3c2)c1
InChIInChI=1S/C30H33N3O2/c1-22-8-6-9-24(20-22)25-10-15-29-28(21-25)30(34)33(23(2)31-29)26-11-13-27(14-12-26)35-19-7-18-32-16-4-3-5-17-32/h6,8-15,20-21H,3-5,7,16-19H2,1-2H3
InChIKeyLSYKCXACGOYPIV-UHFFFAOYSA-N
MW467.61 g/mol
LogP5.92
Rot. Bonds7

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

2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 11583574) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID11583574
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1cccc(-c2ccc3nc(C)n(-c4ccc(OCCCN5CCCCC5)cc4)c(=O)c3c2)c1
InChIInChI=1S/C30H33N3O2/c1-22-8-6-9-24(20-22)25-10-15-29-28(21-25)30(34)33(23(2)31-29)26-11-13-27(14-12-26)35-19-7-18-32-16-4-3-5-17-32/h6,8-15,20-21H,3-5,7,16-19H2,1-2H3
InChIKeyLSYKCXACGOYPIV-UHFFFAOYSA-N
XLogP5.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 55.92
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

2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11509385
2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one
CID 11669670
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
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-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-8-(trifluoromethyl)quinazolin-4-one
CID 24951350
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-3,6-diphenylquinazolin-4-one
CID 155516068
3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline
CID 145305813

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 11583574) is 2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is Cc1cccc(-c2ccc3nc(C)n(-c4ccc(OCCCN5CCCCC5)cc4)c(=O)c3c2)c1.
What is the InChIKey of 2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is LSYKCXACGOYPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-22-8-6-9-24(20-22)25-10-15-29-28(21-25)30(34)33(23(2)31-29)26-11-13-27(14-12-26)35-19-7-18-32-16-4-3-5-17-32/h6,8-15,20-21H,3-5,7,16-19H2,1-2H3.
What are the key properties of 2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 467.61 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 11583574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).