1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

C25H32ClN5O4 — CID 178071988

IUPAC1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)C2(N3Cc4c(C)cc(C(=O)NN)cc4NC3=O)CCCCC2)ccc1C.Cl
InChIInChI=1S/C25H31N5O4.ClH/c1-15-7-8-18(13-21(15)34-3)27-23(32)25(9-5-4-6-10-25)30-14-19-16(2)11-17(22(31)29-26)12-20(19)28-24(30)33;/h7-8,11-13H,4-6,9-10,14,26H2,1-3H3,(H,27,32)(H,28,33)(H,29,31);1H
InChIKeyOZNRAKXLXBNKAC-UHFFFAOYSA-N
MW502.02 g/mol
LogP4.03
Rot. Bonds5

About 1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 178071988) has the molecular formula C25H32ClN5O4 and a molecular weight of 502.02 g/mol. Its IUPAC name is 1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID178071988
Molecular FormulaC25H32ClN5O4
Molecular Weight502.02 g/mol
Exact Mass501.21
IUPAC Name1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)C2(N3Cc4c(C)cc(C(=O)NN)cc4NC3=O)CCCCC2)ccc1C.Cl
InChIInChI=1S/C25H31N5O4.ClH/c1-15-7-8-18(13-21(15)34-3)27-23(32)25(9-5-4-6-10-25)30-14-19-16(2)11-17(22(31)29-26)12-20(19)28-24(30)33;/h7-8,11-13H,4-6,9-10,14,26H2,1-3H3,(H,27,32)(H,28,33)(H,29,31);1H
InChIKeyOZNRAKXLXBNKAC-UHFFFAOYSA-N
XLogP4.03
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.02
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 178071988) is 1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is COc1cc(NC(=O)C2(N3Cc4c(C)cc(C(=O)NN)cc4NC3=O)CCCCC2)ccc1C.Cl.
What is the InChIKey of 1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OZNRAKXLXBNKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4.ClH/c1-15-7-8-18(13-21(15)34-3)27-23(32)25(9-5-4-6-10-25)30-14-19-16(2)11-17(22(31)29-26)12-20(19)28-24(30)33;/h7-8,11-13H,4-6,9-10,14,26H2,1-3H3,(H,27,32)(H,28,33)(H,29,31);1H.
What are the key properties of 1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 502.02 g/mol, XLogP of 4.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 178071988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).