2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one

C26H30N4O — CID 126292118

IUPAC2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H30N4O/c31-26-23-11-5-6-12-24(23)28-25(21-9-3-1-4-10-21)30(26)27-19-20-13-15-22(16-14-20)29-17-7-2-8-18-29/h5-6,11-16,19,21H,1-4,7-10,17-18H2
InChIKeyYBPIMQPSJVZUOI-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.32
Rot. Bonds4

About 2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one

2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one (PubChem CID 126292118) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one
PubChem CID126292118
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H30N4O/c31-26-23-11-5-6-12-24(23)28-25(21-9-3-1-4-10-21)30(26)27-19-20-13-15-22(16-14-20)29-17-7-2-8-18-29/h5-6,11-16,19,21H,1-4,7-10,17-18H2
InChIKeyYBPIMQPSJVZUOI-UHFFFAOYSA-N
XLogP5.32
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.32
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-cyclohexyl-3-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]quinazolin-4-one
CID 126310744
(2R)-2-[4-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126308878
2-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]quinazolin-4-one
CID 126289240
2-cyclohexyl-3-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]quinazolin-4-one
CID 126294015
2-cyclohexyl-3-[(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]quinazolin-4-one
CID 126298872
propan-2-yl 2-[4-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 126312277
2-[2,6-dichloro-4-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetic acid
CID 126298167
3-[[3-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126289077
2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126290795
2-cyclohexyl-3-[(2-propan-2-yloxyphenyl)methylideneamino]quinazolin-4-one
CID 126284648
6-bromo-2-cyclohexyl-3-[(4-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
CID 126323393
2-cyclohexyl-3-[[1-(3,4-dimethylphenyl)pyrrol-2-yl]methylideneamino]quinazolin-4-one
CID 126296490

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one (CID 126292118) is 2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is YBPIMQPSJVZUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c31-26-23-11-5-6-12-24(23)28-25(21-9-3-1-4-10-21)30(26)27-19-20-13-15-22(16-14-20)29-17-7-2-8-18-29/h5-6,11-16,19,21H,1-4,7-10,17-18H2.
What are the key properties of 2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one?
2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 414.55 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126292118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).