4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide

C26H29FN4O — CID 18435984

IUPAC4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H29FN4O/c27-23-6-3-20(4-7-23)21-9-13-31(14-10-21)26(32)29-24-8-5-22-15-19(17-28-25(22)16-24)18-30-11-1-2-12-30/h3-8,15-17,21H,1-2,9-14,18H2,(H,29,32)
InChIKeyBNKDXJJXXMAIBU-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.38
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide

4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide (PubChem CID 18435984) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
PubChem CID18435984
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC Name4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H29FN4O/c27-23-6-3-20(4-7-23)21-9-13-31(14-10-21)26(32)29-24-8-5-22-15-19(17-28-25(22)16-24)18-30-11-1-2-12-30/h3-8,15-17,21H,1-2,9-14,18H2,(H,29,32)
InChIKeyBNKDXJJXXMAIBU-UHFFFAOYSA-N
XLogP5.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Gsk163090
CID 11292933
Ko-947
CID 136653617
PF-750
CID 25154868
1,3-Di-6-quinolylurea
CID 68281
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3S)-3-(2-fluorophenyl)cyclopentyl]urea
CID 66549276
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3S)-3-(3-fluorophenyl)cyclopentyl]urea
CID 66549466
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]urea
CID 66549650
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3R)-3-(3-fluorophenyl)cyclopentyl]urea
CID 66549652
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3R)-3-phenylcyclopentyl]urea
CID 66551086
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea
CID 68313317
N-[3-fluoro-4-(1-pyrrolidinyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 10022547
SB-410220
CID 10065953

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide (CID 18435984) is 4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide is O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The InChIKey is BNKDXJJXXMAIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c27-23-6-3-20(4-7-23)21-9-13-31(14-10-21)26(32)29-24-8-5-22-15-19(17-28-25(22)16-24)18-30-11-1-2-12-30/h3-8,15-17,21H,1-2,9-14,18H2,(H,29,32).
What are the key properties of 4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide is sourced from PubChem (CID 18435984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).