6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine

C24H15BrClN5 — CID 91941799

IUPAC6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine
SMILESClc1ccc(-c2nc(NN=Cc3ccc4ncccc4c3)nc3ccc(Br)cc23)cc1
InChIInChI=1S/C24H15BrClN5/c25-18-6-10-22-20(13-18)23(16-4-7-19(26)8-5-16)30-24(29-22)31-28-14-15-3-9-21-17(12-15)2-1-11-27-21/h1-14H,(H,29,30,31)
InChIKeyAHAUUIBAKYDMNW-UHFFFAOYSA-N
MW488.78 g/mol
LogP6.71
Rot. Bonds4

About 6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine

6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine (PubChem CID 91941799) has the molecular formula C24H15BrClN5 and a molecular weight of 488.78 g/mol. Its IUPAC name is 6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine
PubChem CID91941799
Molecular FormulaC24H15BrClN5
Molecular Weight488.78 g/mol
Exact Mass487.02
IUPAC Name6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine
SMILESClc1ccc(-c2nc(NN=Cc3ccc4ncccc4c3)nc3ccc(Br)cc23)cc1
InChIInChI=1S/C24H15BrClN5/c25-18-6-10-22-20(13-18)23(16-4-7-19(26)8-5-16)30-24(29-22)31-28-14-15-3-9-21-17(12-15)2-1-11-27-21/h1-14H,(H,29,30,31)
InChIKeyAHAUUIBAKYDMNW-UHFFFAOYSA-N
XLogP6.71
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.78
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
CID 6184611
6-bromo-N-[[3-(dimethylamino)phenyl]methylideneamino]-4-phenylquinazolin-2-amine
CID 126836670
2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol
CID 135521814
3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline
CID 4545818
3,4-dichloro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline
CID 6146065
6-bromo-N-[[4-(4-methylphenyl)sulfonyl-3-nitrophenyl]methylideneamino]-4-phenylquinazolin-2-amine
CID 4063437
3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
CID 135533175
7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine
CID 119040914
4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
CID 51682498
N-(4-phenylphenyl)-1-quinolin-6-ylmethanimine
CID 2443754
bis(6-bromoquinoline);hydrate
CID 174834691
N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 6036074

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine?
The IUPAC name of 6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine (CID 91941799) is 6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine?
The canonical SMILES for 6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine is Clc1ccc(-c2nc(NN=Cc3ccc4ncccc4c3)nc3ccc(Br)cc23)cc1.
What is the InChIKey of 6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine?
The InChIKey is AHAUUIBAKYDMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrClN5/c25-18-6-10-22-20(13-18)23(16-4-7-19(26)8-5-16)30-24(29-22)31-28-14-15-3-9-21-17(12-15)2-1-11-27-21/h1-14H,(H,29,30,31).
What are the key properties of 6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine?
6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine has a molecular weight of 488.78 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine is sourced from PubChem (CID 91941799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).