2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one

C16H13BrN4O2 — CID 6863123

IUPAC2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one
SMILESCOn1c(N/N=C/c2ccc(Br)cc2)nc2ccccc2c1=O
InChIInChI=1S/C16H13BrN4O2/c1-23-21-15(22)13-4-2-3-5-14(13)19-16(21)20-18-10-11-6-8-12(17)9-7-11/h2-10H,1H3,(H,19,20)/b18-10+
InChIKeyGXJKTQBPQQQNIP-VCHYOVAHSA-N
MW373.21 g/mol
LogP2.66
Rot. Bonds4

About 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one

2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one (PubChem CID 6863123) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one.

Molecular Properties

Compound Name2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one
PubChem CID6863123
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one
SMILESCOn1c(N/N=C/c2ccc(Br)cc2)nc2ccccc2c1=O
InChIInChI=1S/C16H13BrN4O2/c1-23-21-15(22)13-4-2-3-5-14(13)19-16(21)20-18-10-11-6-8-12(17)9-7-11/h2-10H,1H3,(H,19,20)/b18-10+
InChIKeyGXJKTQBPQQQNIP-VCHYOVAHSA-N
XLogP2.66
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.66
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

2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 1383245
3-hydroxy-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 6868596
2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
CID 24874427
3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 177494723
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 137030483
3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 4911064
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
ethyl 2-[2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-4-oxoquinazolin-3-yl]oxyacetate
CID 1414830
2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 3640022
2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 9299253
2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6513719

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one?
The IUPAC name of 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one (CID 6863123) is 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one.
What is the SMILES notation for 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one?
The canonical SMILES for 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one is COn1c(N/N=C/c2ccc(Br)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one?
The InChIKey is GXJKTQBPQQQNIP-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-23-21-15(22)13-4-2-3-5-14(13)19-16(21)20-18-10-11-6-8-12(17)9-7-11/h2-10H,1H3,(H,19,20)/b18-10+.
What are the key properties of 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one?
2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one has a molecular weight of 373.21 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one is sourced from PubChem (CID 6863123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).