2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one

C15H11BrN4O — CID 137030483

IUPAC2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N/N=C\c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C15H11BrN4O/c16-11-7-5-10(6-8-11)9-17-20-15-18-13-4-2-1-3-12(13)14(21)19-15/h1-9H,(H2,18,19,20,21)/b17-9-
InChIKeyKKSSROAVJUJDOQ-MFOYZWKCSA-N
MW343.18 g/mol
LogP3.13
Rot. Bonds3

About 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one

2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one (PubChem CID 137030483) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
PubChem CID137030483
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N/N=C\c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C15H11BrN4O/c16-11-7-5-10(6-8-11)9-17-20-15-18-13-4-2-1-3-12(13)14(21)19-15/h1-9H,(H2,18,19,20,21)/b17-9-
InChIKeyKKSSROAVJUJDOQ-MFOYZWKCSA-N
XLogP3.13
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135433330
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135719981
2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697078
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697070
2-[(2Z)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 137060111
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 1383245
2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one
CID 6863123
3-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-tert-butyl-4H-1,2,4-triazin-5-one
CID 135659443
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788143
2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697091
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781521
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one (CID 137030483) is 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one is O=c1[nH]c(N/N=C\c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The InChIKey is KKSSROAVJUJDOQ-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-11-7-5-10(6-8-11)9-17-20-15-18-13-4-2-1-3-12(13)14(21)19-15/h1-9H,(H2,18,19,20,21)/b17-9-.
What are the key properties of 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one has a molecular weight of 343.18 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137030483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).