3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one

C27H26N4O — CID 4593857

IUPAC3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one
SMILESCc1cc(N2CCCCC2)ccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C27H26N4O/c1-20-18-23(30-16-8-3-9-17-30)15-14-22(20)19-28-31-26(21-10-4-2-5-11-21)29-25-13-7-6-12-24(25)27(31)32/h2,4-7,10-15,18-19H,3,8-9,16-17H2,1H3
InChIKeyLVROGHARPLWJLA-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.24
Rot. Bonds4

About 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one

3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 4593857) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one
PubChem CID4593857
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one
SMILESCc1cc(N2CCCCC2)ccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C27H26N4O/c1-20-18-23(30-16-8-3-9-17-30)15-14-22(20)19-28-31-26(21-10-4-2-5-11-21)29-25-13-7-6-12-24(25)27(31)32/h2,4-7,10-15,18-19H,3,8-9,16-17H2,1H3
InChIKeyLVROGHARPLWJLA-UHFFFAOYSA-N
XLogP5.24
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]quinazolin-4-one
CID 126285682
3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4313014
3-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126286127
3-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 5190057
3-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 5159761
4-[2,5-dimethyl-3-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzonitrile
CID 3291481
3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5115868
3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405167
3-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5126923
2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
CID 3949629
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
4-[2,5-dimethyl-3-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]pyrrol-1-yl]-3-methylbenzoic acid
CID 3483713

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one (CID 4593857) is 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one is Cc1cc(N2CCCCC2)ccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is LVROGHARPLWJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-20-18-23(30-16-8-3-9-17-30)15-14-22(20)19-28-31-26(21-10-4-2-5-11-21)29-25-13-7-6-12-24(25)27(31)32/h2,4-7,10-15,18-19H,3,8-9,16-17H2,1H3.
What are the key properties of 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one?
3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 422.53 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 4593857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).