7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one

C18H12ClN5O — CID 9294801

IUPAC7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one
SMILESCc1nc2cc(Cl)ccc2c(=O)n1/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C18H12ClN5O/c1-11-22-17-8-12(19)6-7-14(17)18(25)24(11)21-10-13-9-20-15-4-2-3-5-16(15)23-13/h2-10H,1H3/b21-10-
InChIKeyAMLPGLHPAZSECU-FBHDLOMBSA-N
MW349.78 g/mol
LogP3.18
Rot. Bonds2

About 7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one

7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one (PubChem CID 9294801) has the molecular formula C18H12ClN5O and a molecular weight of 349.78 g/mol. Its IUPAC name is 7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one
PubChem CID9294801
Molecular FormulaC18H12ClN5O
Molecular Weight349.78 g/mol
Exact Mass349.07
IUPAC Name7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one
SMILESCc1nc2cc(Cl)ccc2c(=O)n1/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C18H12ClN5O/c1-11-22-17-8-12(19)6-7-14(17)18(25)24(11)21-10-13-9-20-15-4-2-3-5-16(15)23-13/h2-10H,1H3/b21-10-
InChIKeyAMLPGLHPAZSECU-FBHDLOMBSA-N
XLogP3.18
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9296302
7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
CID 9155005
2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 9294798
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
CID 9239381
3-[(Z)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-methylquinazolin-4-one
CID 7965531
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one?
The IUPAC name of 7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one (CID 9294801) is 7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one?
The canonical SMILES for 7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one is Cc1nc2cc(Cl)ccc2c(=O)n1/N=C\c1cnc2ccccc2n1.
What is the InChIKey of 7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one?
The InChIKey is AMLPGLHPAZSECU-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H12ClN5O/c1-11-22-17-8-12(19)6-7-14(17)18(25)24(11)21-10-13-9-20-15-4-2-3-5-16(15)23-13/h2-10H,1H3/b21-10-.
What are the key properties of 7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one?
7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one has a molecular weight of 349.78 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one is sourced from PubChem (CID 9294801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).