3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one

C21H17N3O2 — CID 5423325

IUPAC3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1ccc2ccccc2c1/C=N\n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C21H17N3O2/c1-14-23-19-10-6-5-9-17(19)21(25)24(14)22-13-18-16-8-4-3-7-15(16)11-12-20(18)26-2/h3-13H,1-2H3/b22-13-
InChIKeyVEARELOKAMDPEW-XKZIYDEJSA-N
MW343.39 g/mol
LogP3.75
Rot. Bonds3

About 3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one

3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 5423325) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID5423325
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1ccc2ccccc2c1/C=N\n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C21H17N3O2/c1-14-23-19-10-6-5-9-17(19)21(25)24(14)22-13-18-16-8-4-3-7-15(16)11-12-20(18)26-2/h3-13H,1-2H3/b22-13-
InChIKeyVEARELOKAMDPEW-XKZIYDEJSA-N
XLogP3.75
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.75
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

[1-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl] 4-methylbenzenesulfonate
CID 4863825
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one
CID 126287182
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 3298098
6-bromo-3-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylquinazolin-4-one
CID 126307007
3-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
CID 23376507
3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
(2S)-2-[1-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxypropanoic acid
CID 126408699
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 23350658
3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406359

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one (CID 5423325) is 3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one is COc1ccc2ccccc2c1/C=N\n1c(C)nc2ccccc2c1=O.
What is the InChIKey of 3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is VEARELOKAMDPEW-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-23-19-10-6-5-9-17(19)21(25)24(14)22-13-18-16-8-4-3-7-15(16)11-12-20(18)26-2/h3-13H,1-2H3/b22-13-.
What are the key properties of 3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one?
3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 343.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 5423325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).