2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide

C18H19BrN4O — CID 2870268

IUPAC2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide
SMILESCCC1=Nc2ccc(Br)cc2C(c2ccccc2)N1CC(=O)NN
InChIInChI=1S/C18H19BrN4O/c1-2-16-21-15-9-8-13(19)10-14(15)18(12-6-4-3-5-7-12)23(16)11-17(24)22-20/h3-10,18H,2,11,20H2,1H3,(H,22,24)
InChIKeyQFMMELNBJKXCLB-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.28
Rot. Bonds4

About 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide

2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide (PubChem CID 2870268) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide
PubChem CID2870268
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide
SMILESCCC1=Nc2ccc(Br)cc2C(c2ccccc2)N1CC(=O)NN
InChIInChI=1S/C18H19BrN4O/c1-2-16-21-15-9-8-13(19)10-14(15)18(12-6-4-3-5-7-12)23(16)11-17(24)22-20/h3-10,18H,2,11,20H2,1H3,(H,22,24)
InChIKeyQFMMELNBJKXCLB-UHFFFAOYSA-N
XLogP3.28
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-Bromo-2-(3-chloro-phenyl)-4-phenyl-4H-quinazolin-3-yl]-acetic acid hydrazide
CID 2870351
2-(6-Bromo-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-yl)acetohydrazide
CID 2870196
2-(6-bromo-2,4-diphenylquinazolin-3(4H)-yl)acetohydrazide
CID 2870396
[6-Bromo-2-(4-bromo-phenyl)-4-phenyl-4H-quinazolin-3-yl]-acetic acid hydrazide
CID 3119177
[6-Bromo-2-(4-chloro-phenyl)-4-phenyl-4H-quinazolin-3-yl]-acetic acid hydrazide
CID 3119178
N'-Acetyl-2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetohydrazide
CID 627086
2-{[(2-Amino-5-bromophenyl)(phenyl)methyl]amino}acetohydrazide
CID 2870320
[6-Bromo-2-(2-bromo-phenyl)-4-phenyl-4H-quinazolin-3-yl]-acetic acid hydrazide
CID 4358566
2-(6-bromo-2-(morpholinomethyl)-4-phenylquinazolin-3(4H)-yl)acetohydrazide
CID 2870407
9-bromo-11-phenyl-3,4,5,11-tetrahydro[1,4]diazepino[7,1-b]quinazolin-2(1H)-one
CID 3515999
8-Bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one
CID 2874741
(1R)-7-bromo-N-(3-phenylpropyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
CID 145982504

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide?
The IUPAC name of 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide (CID 2870268) is 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide?
The canonical SMILES for 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide is CCC1=Nc2ccc(Br)cc2C(c2ccccc2)N1CC(=O)NN.
What is the InChIKey of 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide?
The InChIKey is QFMMELNBJKXCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-2-16-21-15-9-8-13(19)10-14(15)18(12-6-4-3-5-7-12)23(16)11-17(24)22-20/h3-10,18H,2,11,20H2,1H3,(H,22,24).
What are the key properties of 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide?
2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide has a molecular weight of 387.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide is sourced from PubChem (CID 2870268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).