3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide

C25H24N4O4 — CID 3339295

IUPAC3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide
SMILESCOc1cc(C(=O)NNc2nc(-c3ccccc3)c3cc(C)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O4/c1-15-10-11-19-18(12-15)22(16-8-6-5-7-9-16)27-25(26-19)29-28-24(30)17-13-20(31-2)23(33-4)21(14-17)32-3/h5-14H,1-4H3,(H,28,30)(H,26,27,29)
InChIKeyQPEDGDISHWJIGM-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.39
Rot. Bonds7

About 3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide

3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide (PubChem CID 3339295) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide
PubChem CID3339295
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide
SMILESCOc1cc(C(=O)NNc2nc(-c3ccccc3)c3cc(C)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O4/c1-15-10-11-19-18(12-15)22(16-8-6-5-7-9-16)27-25(26-19)29-28-24(30)17-13-20(31-2)23(33-4)21(14-17)32-3/h5-14H,1-4H3,(H,28,30)(H,26,27,29)
InChIKeyQPEDGDISHWJIGM-UHFFFAOYSA-N
XLogP4.39
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide
CID 4032991
N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide
CID 3138565
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 929491
3,4,5-trimethoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3378236
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide
CID 26120040
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
methyl 4-(2-methylphenanthridin-6-yl)benzoate
CID 134946434
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316
butan-2-yl 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetate
CID 4729055
2-ethoxy-6-methyl-4-phenylquinazoline
CID 742337
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide (CID 3339295) is 3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide is COc1cc(C(=O)NNc2nc(-c3ccccc3)c3cc(C)ccc3n2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide?
The InChIKey is QPEDGDISHWJIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-15-10-11-19-18(12-15)22(16-8-6-5-7-9-16)27-25(26-19)29-28-24(30)17-13-20(31-2)23(33-4)21(14-17)32-3/h5-14H,1-4H3,(H,28,30)(H,26,27,29).
What are the key properties of 3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide?
3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide has a molecular weight of 444.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide is sourced from PubChem (CID 3339295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).