6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide

C23H24N6O2 — CID 45494949

IUPAC6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
SMILESO=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C23H24N6O2/c30-22(27-19-11-9-18(10-12-19)14-29-16-24-15-26-29)8-2-1-5-13-28-17-25-21-7-4-3-6-20(21)23(28)31/h3-4,6-7,9-12,15-17H,1-2,5,8,13-14H2,(H,27,30)
InChIKeyYPFWGMQZDBGVFX-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.24
Rot. Bonds9

About 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide

6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide (PubChem CID 45494949) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide.

Molecular Properties

Compound Name6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
PubChem CID45494949
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
SMILESO=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C23H24N6O2/c30-22(27-19-11-9-18(10-12-19)14-29-16-24-15-26-29)8-2-1-5-13-28-17-25-21-7-4-3-6-20(21)23(28)31/h3-4,6-7,9-12,15-17H,1-2,5,8,13-14H2,(H,27,30)
InChIKeyYPFWGMQZDBGVFX-UHFFFAOYSA-N
XLogP3.24
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132289
6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 4899813
N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide
CID 4904289
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
methyl 2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate
CID 4905503
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 55908017
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944

Frequently Asked Questions

What is the IUPAC name of 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide?
The IUPAC name of 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide (CID 45494949) is 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide.
What is the SMILES notation for 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide?
The canonical SMILES for 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide is O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide?
The InChIKey is YPFWGMQZDBGVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c30-22(27-19-11-9-18(10-12-19)14-29-16-24-15-26-29)8-2-1-5-13-28-17-25-21-7-4-3-6-20(21)23(28)31/h3-4,6-7,9-12,15-17H,1-2,5,8,13-14H2,(H,27,30).
What are the key properties of 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide?
6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide has a molecular weight of 416.49 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide is sourced from PubChem (CID 45494949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).