6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine

C23H15ClN6 — CID 6184611

IUPAC6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
SMILESClc1ccc2nc(N/N=C\c3ccc4nccnc4c3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C23H15ClN6/c24-17-7-9-19-18(13-17)22(16-4-2-1-3-5-16)29-23(28-19)30-27-14-15-6-8-20-21(12-15)26-11-10-25-20/h1-14H,(H,28,29,30)/b27-14-
InChIKeyBBZZACKEAGNELV-VYYCAZPPSA-N
MW410.87 g/mol
LogP5.34
Rot. Bonds4

About 6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine

6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine (PubChem CID 6184611) has the molecular formula C23H15ClN6 and a molecular weight of 410.87 g/mol. Its IUPAC name is 6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
PubChem CID6184611
Molecular FormulaC23H15ClN6
Molecular Weight410.87 g/mol
Exact Mass410.10
IUPAC Name6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
SMILESClc1ccc2nc(N/N=C\c3ccc4nccnc4c3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C23H15ClN6/c24-17-7-9-19-18(13-17)22(16-4-2-1-3-5-16)29-23(28-19)30-27-14-15-6-8-20-21(12-15)26-11-10-25-20/h1-14H,(H,28,29,30)/b27-14-
InChIKeyBBZZACKEAGNELV-VYYCAZPPSA-N
XLogP5.34
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.87
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine
CID 91941799
7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine
CID 119040914
2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 4316664
6-bromo-N-[[3-(dimethylamino)phenyl]methylideneamino]-4-phenylquinazolin-2-amine
CID 126836670
2-fluoro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 174698734
6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine
CID 90254100
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine
CID 75534449
2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol
CID 135521814
N-[(2-chloro-7-ethoxyquinolin-3-yl)methylideneamino]-6-methyl-4-phenylquinazolin-2-amine
CID 2830444
4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 174698700
4-fluoro-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 175279468
6-bromo-N-[[4-(4-methylphenyl)sulfonyl-3-nitrophenyl]methylideneamino]-4-phenylquinazolin-2-amine
CID 4063437

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine?
The IUPAC name of 6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine (CID 6184611) is 6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine.
What is the SMILES notation for 6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine?
The canonical SMILES for 6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine is Clc1ccc2nc(N/N=C\c3ccc4nccnc4c3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine?
The InChIKey is BBZZACKEAGNELV-VYYCAZPPSA-N. The full InChI is InChI=1S/C23H15ClN6/c24-17-7-9-19-18(13-17)22(16-4-2-1-3-5-16)29-23(28-19)30-27-14-15-6-8-20-21(12-15)26-11-10-25-20/h1-14H,(H,28,29,30)/b27-14-.
What are the key properties of 6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine?
6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine has a molecular weight of 410.87 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine is sourced from PubChem (CID 6184611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).