N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide

C23H22N4O2 — CID 55721874

IUPACN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C23H22N4O2/c1-16-18(15-27(26-16)19-10-3-2-4-11-19)9-7-13-24-22(28)20-14-17-8-5-6-12-21(17)25-23(20)29/h2-6,8,10-12,14-15H,7,9,13H2,1H3,(H,24,28)(H,25,29)
InChIKeyUDQOWZYEYDQFDJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.38
Rot. Bonds6

About N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 55721874) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID55721874
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C23H22N4O2/c1-16-18(15-27(26-16)19-10-3-2-4-11-19)9-7-13-24-22(28)20-14-17-8-5-6-12-21(17)25-23(20)29/h2-6,8,10-12,14-15H,7,9,13H2,1H3,(H,24,28)(H,25,29)
InChIKeyUDQOWZYEYDQFDJ-UHFFFAOYSA-N
XLogP3.38
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
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-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide (CID 55721874) is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is UDQOWZYEYDQFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-18(15-27(26-16)19-10-3-2-4-11-19)9-7-13-24-22(28)20-14-17-8-5-6-12-21(17)25-23(20)29/h2-6,8,10-12,14-15H,7,9,13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 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]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55721874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).