N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide

C23H22N4O — CID 71685784

IUPACN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc2cccnc12
InChIInChI=1S/C23H22N4O/c1-17-19(16-27(26-17)20-11-3-2-4-12-20)10-7-15-25-23(28)21-13-5-8-18-9-6-14-24-22(18)21/h2-6,8-9,11-14,16H,7,10,15H2,1H3,(H,25,28)
InChIKeyXMAMEWXUSFSKPQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.09
Rot. Bonds6

About N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide (PubChem CID 71685784) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
PubChem CID71685784
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc2cccnc12
InChIInChI=1S/C23H22N4O/c1-17-19(16-27(26-17)20-11-3-2-4-12-20)10-7-15-25-23(28)21-13-5-8-18-9-6-14-24-22(18)21/h2-6,8-9,11-14,16H,7,10,15H2,1H3,(H,25,28)
InChIKeyXMAMEWXUSFSKPQ-UHFFFAOYSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.09
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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Related Compounds

4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 46426573
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55721874
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
CID 55933539
2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 86971711
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide
CID 46426764
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55932656
3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 55644256
2-(2-cyanophenyl)sulfanyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 60545040
6-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55645313
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 60511426

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide?
The IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide (CID 71685784) is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc2cccnc12.
What is the InChIKey of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide?
The InChIKey is XMAMEWXUSFSKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17-19(16-27(26-17)20-11-3-2-4-12-20)10-7-15-25-23(28)21-13-5-8-18-9-6-14-24-22(18)21/h2-6,8-9,11-14,16H,7,10,15H2,1H3,(H,25,28).
What are the key properties of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide?
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide is sourced from PubChem (CID 71685784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).