2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one

C34H30N4O — CID 126314089

IUPAC2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cn(Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C34H30N4O/c39-34-30-18-6-8-19-31(30)36-33(25-12-2-1-3-13-25)38(34)35-21-27-23-37(32-20-9-7-17-29(27)32)22-26-15-10-14-24-11-4-5-16-28(24)26/h4-11,14-21,23,25H,1-3,12-13,22H2
InChIKeyVNLAKRHQYUEJKC-UHFFFAOYSA-N
MW510.64 g/mol
LogP7.48
Rot. Bonds5

About 2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one

2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one (PubChem CID 126314089) has the molecular formula C34H30N4O and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one
PubChem CID126314089
Molecular FormulaC34H30N4O
Molecular Weight510.64 g/mol
Exact Mass510.24
IUPAC Name2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cn(Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C34H30N4O/c39-34-30-18-6-8-19-31(30)36-33(25-12-2-1-3-13-25)38(34)35-21-27-23-37(32-20-9-7-17-29(27)32)22-26-15-10-14-24-11-4-5-16-28(24)26/h4-11,14-21,23,25H,1-3,12-13,22H2
InChIKeyVNLAKRHQYUEJKC-UHFFFAOYSA-N
XLogP7.48
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 57.48
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

3-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126313374
2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126312948
3-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126306389
3-[[1-[(2R)-butan-2-yl]indol-3-yl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126303608
3-[[5-chloro-3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126297056
2-cyclohexyl-3-[(2-propan-2-yloxyphenyl)methylideneamino]quinazolin-4-one
CID 126284648
3-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126285874
6-bromo-2-[(2S)-butan-2-yl]-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one
CID 126318947
6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126318791
2-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]quinazolin-4-one
CID 126289240
(1R,2S,6R,7R)-4-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 98101385
[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126307849

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one (CID 126314089) is 2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cn(Cc2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one?
The InChIKey is VNLAKRHQYUEJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O/c39-34-30-18-6-8-19-31(30)36-33(25-12-2-1-3-13-25)38(34)35-21-27-23-37(32-20-9-7-17-29(27)32)22-26-15-10-14-24-11-4-5-16-28(24)26/h4-11,14-21,23,25H,1-3,12-13,22H2.
What are the key properties of 2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one?
2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one has a molecular weight of 510.64 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126314089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).