6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide

C20H22FN5O2 — CID 167868377

IUPAC6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccn(CCCN2CCCC2)n1)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C20H22FN5O2/c21-14-4-5-17-15(12-14)16(13-19(27)22-17)20(28)23-18-6-11-26(24-18)10-3-9-25-7-1-2-8-25/h4-6,11-13H,1-3,7-10H2,(H,22,27)(H,23,24,28)
InChIKeyQXWBDXOYZISJRI-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.60
Rot. Bonds6

About 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide

6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide (PubChem CID 167868377) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide
PubChem CID167868377
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccn(CCCN2CCCC2)n1)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C20H22FN5O2/c21-14-4-5-17-15(12-14)16(13-19(27)22-17)20(28)23-18-6-11-26(24-18)10-3-9-25-7-1-2-8-25/h4-6,11-13H,1-3,7-10H2,(H,22,27)(H,23,24,28)
InChIKeyQXWBDXOYZISJRI-UHFFFAOYSA-N
XLogP2.60
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

7-fluoro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 166211812
6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 166210561
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 86286424
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 166211858
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide
CID 15994470
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 91796045
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 91795880
N-(2,5-difluorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7901301
2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 169409049
4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one
CID 70724503
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide (CID 167868377) is 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide is O=C(Nc1ccn(CCCN2CCCC2)n1)c1cc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide?
The InChIKey is QXWBDXOYZISJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-14-4-5-17-15(12-14)16(13-19(27)22-17)20(28)23-18-6-11-26(24-18)10-3-9-25-7-1-2-8-25/h4-6,11-13H,1-3,7-10H2,(H,22,27)(H,23,24,28).
What are the key properties of 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide?
6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 167868377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).