3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one

C24H16BrN5O — CID 135533175

IUPAC3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1/C=N/Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C24H16BrN5O/c25-18-10-11-21-19(13-18)22(15-6-2-1-3-7-15)29-24(28-21)30-26-14-17-12-16-8-4-5-9-20(16)27-23(17)31/h1-14H,(H,27,31)(H,28,29,30)/b26-14+
InChIKeyOSUYQHMCYSQOMX-VULFUBBASA-N
MW470.33 g/mol
LogP5.35
Rot. Bonds4

About 3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one

3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one (PubChem CID 135533175) has the molecular formula C24H16BrN5O and a molecular weight of 470.33 g/mol. Its IUPAC name is 3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
PubChem CID135533175
Molecular FormulaC24H16BrN5O
Molecular Weight470.33 g/mol
Exact Mass469.05
IUPAC Name3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1/C=N/Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C24H16BrN5O/c25-18-10-11-21-19(13-18)22(15-6-2-1-3-7-15)29-24(28-21)30-26-14-17-12-16-8-4-5-9-20(16)27-23(17)31/h1-14H,(H,27,31)(H,28,29,30)/b26-14+
InChIKeyOSUYQHMCYSQOMX-VULFUBBASA-N
XLogP5.35
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.33
LogP ≤ 55.35
H-Bond Donors ≤ 52
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

3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
CID 135529630
2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol
CID 135521814
6-bromo-N-[[3-(dimethylamino)phenyl]methylideneamino]-4-phenylquinazolin-2-amine
CID 126836670
N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine
CID 136853822
6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine
CID 91941799
6-bromo-N-[[4-(4-methylphenyl)sulfonyl-3-nitrophenyl]methylideneamino]-4-phenylquinazolin-2-amine
CID 4063437
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 6789971
(NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine
CID 135570543
2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 4534549
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
CID 4595859
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
CID 6184611

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one (CID 135533175) is 3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1/C=N/Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1.
What is the InChIKey of 3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
The InChIKey is OSUYQHMCYSQOMX-VULFUBBASA-N. The full InChI is InChI=1S/C24H16BrN5O/c25-18-10-11-21-19(13-18)22(15-6-2-1-3-7-15)29-24(28-21)30-26-14-17-12-16-8-4-5-9-20(16)27-23(17)31/h1-14H,(H,27,31)(H,28,29,30)/b26-14+.
What are the key properties of 3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one has a molecular weight of 470.33 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 135533175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).