N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide

C22H17BrN4O — CID 4032991

IUPACN'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C22H17BrN4O/c1-14-6-5-9-16(12-14)21(28)26-27-22-24-19-11-10-17(23)13-18(19)20(25-22)15-7-3-2-4-8-15/h2-13H,1H3,(H,26,28)(H,24,25,27)
InChIKeyLIMUBNNHNFXXRT-UHFFFAOYSA-N
MW433.31 g/mol
LogP5.12
Rot. Bonds4

About N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide

N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide (PubChem CID 4032991) has the molecular formula C22H17BrN4O and a molecular weight of 433.31 g/mol. Its IUPAC name is N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide
PubChem CID4032991
Molecular FormulaC22H17BrN4O
Molecular Weight433.31 g/mol
Exact Mass432.06
IUPAC NameN'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C22H17BrN4O/c1-14-6-5-9-16(12-14)21(28)26-27-22-24-19-11-10-17(23)13-18(19)20(25-22)15-7-3-2-4-8-15/h2-13H,1H3,(H,26,28)(H,24,25,27)
InChIKeyLIMUBNNHNFXXRT-UHFFFAOYSA-N
XLogP5.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.31
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide
CID 3339295
3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide
CID 4276068
N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]-2-chlorobenzohydrazide
CID 5034881
N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide
CID 4535582
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 929491
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
1-[(7-methyl-4-phenylquinazolin-2-yl)amino]-3-phenylthiourea
CID 91927994
6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 163338403
3-bromo-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 2887934

Frequently Asked Questions

What is the IUPAC name of N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide?
The IUPAC name of N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide (CID 4032991) is N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide.
What is the SMILES notation for N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide?
The canonical SMILES for N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide is Cc1cccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1.
What is the InChIKey of N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide?
The InChIKey is LIMUBNNHNFXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O/c1-14-6-5-9-16(12-14)21(28)26-27-22-24-19-11-10-17(23)13-18(19)20(25-22)15-7-3-2-4-8-15/h2-13H,1H3,(H,26,28)(H,24,25,27).
What are the key properties of N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide?
N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide has a molecular weight of 433.31 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide is sourced from PubChem (CID 4032991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).