N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

C28H22N4O3S — CID 6133483

IUPACN-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C28H22N4O3S/c1-35-25-16-15-19-9-5-6-12-21(19)23(25)17-29-31-26(33)18-36-28-30-24-14-8-7-13-22(24)27(34)32(28)20-10-3-2-4-11-20/h2-17H,18H2,1H3,(H,31,33)/b29-17-
InChIKeyOSAPMROQUFKPEB-RHANQZHGSA-N
MW494.58 g/mol
LogP4.79
Rot. Bonds7

About N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide (PubChem CID 6133483) has the molecular formula C28H22N4O3S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
PubChem CID6133483
Molecular FormulaC28H22N4O3S
Molecular Weight494.58 g/mol
Exact Mass494.14
IUPAC NameN-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C28H22N4O3S/c1-35-25-16-15-19-9-5-6-12-21(19)23(25)17-29-31-26(33)18-36-28-30-24-14-8-7-13-22(24)27(34)32(28)20-10-3-2-4-11-20/h2-17H,18H2,1H3,(H,31,33)/b29-17-
InChIKeyOSAPMROQUFKPEB-RHANQZHGSA-N
XLogP4.79
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 1414633
[2-methoxy-4-[(E)-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenyl] acetate
CID 6886268
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6878528
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 136689616
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 135641705
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 4508153
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 136736873
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 135648225
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136736882
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 135703762
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1387858
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1414350

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide (CID 6133483) is N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is COc1ccc2ccccc2c1/C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is OSAPMROQUFKPEB-RHANQZHGSA-N. The full InChI is InChI=1S/C28H22N4O3S/c1-35-25-16-15-19-9-5-6-12-21(19)23(25)17-29-31-26(33)18-36-28-30-24-14-8-7-13-22(24)27(34)32(28)20-10-3-2-4-11-20/h2-17H,18H2,1H3,(H,31,33)/b29-17-.
What are the key properties of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 494.58 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 6133483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).