N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide

C19H22N4O — CID 2564973

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCn2nc(C)cc2C)c2ccccc2n1
InChIInChI=1S/C19H22N4O/c1-13-12-17(16-7-4-5-8-18(16)21-13)19(24)20-9-6-10-23-15(3)11-14(2)22-23/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,20,24)
InChIKeySCXUIQNTWYCJOC-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.18
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide (PubChem CID 2564973) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
PubChem CID2564973
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCn2nc(C)cc2C)c2ccccc2n1
InChIInChI=1S/C19H22N4O/c1-13-12-17(16-7-4-5-8-18(16)21-13)19(24)20-9-6-10-23-15(3)11-14(2)22-23/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,20,24)
InChIKeySCXUIQNTWYCJOC-UHFFFAOYSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide (CID 2564973) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCCCn2nc(C)cc2C)c2ccccc2n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide?
The InChIKey is SCXUIQNTWYCJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-12-17(16-7-4-5-8-18(16)21-13)19(24)20-9-6-10-23-15(3)11-14(2)22-23/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,20,24).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2564973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).