1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide

C20H23FN4O2 — CID 53333806

IUPAC1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H23FN4O2/c21-14-3-4-17-15(11-14)18(24-9-5-13(6-10-24)19(22)26)16(12-23-17)20(27)25-7-1-2-8-25/h3-4,11-13H,1-2,5-10H2,(H2,22,26)
InChIKeyGBVQWPPBNZOWRB-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.31
Rot. Bonds3

About 1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide

1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide (PubChem CID 53333806) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide
PubChem CID53333806
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H23FN4O2/c21-14-3-4-17-15(11-14)18(24-9-5-13(6-10-24)19(22)26)16(12-23-17)20(27)25-7-1-2-8-25/h3-4,11-13H,1-2,5-10H2,(H2,22,26)
InChIKeyGBVQWPPBNZOWRB-UHFFFAOYSA-N
XLogP2.31
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(3-azaspiro[5.5]undecan-3-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581654
cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581534
cyclopropyl-[4-[6-fluoro-4-(4-hydroxy-4-phenylpiperidin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581260
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622
2-[1-[6-fluoro-3-(4-methylsulfanylpiperazine-1-carbonyl)quinolin-4-yl]piperidin-4-yl]acetonitrile
CID 142581516
[4-(4-benzylpiperidin-1-yl)-6-fluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 151062239
1-[6-fluoro-3-(4-methylsulfonylpiperidine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581596
ethane;(6-fluoro-4-piperazin-1-ylquinolin-3-yl)-(4-methylsulfinylpiperazin-1-yl)methanone
CID 142581238
[6-fluoro-4-(4-phenylsulfanylpiperazin-1-yl)quinolin-3-yl]-(4-methylsulfanylpiperazin-1-yl)methanone
CID 174205767
1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide
CID 7184455
ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
CID 133388780
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide (CID 53333806) is 1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide?
The InChIKey is GBVQWPPBNZOWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-14-3-4-17-15(11-14)18(24-9-5-13(6-10-24)19(22)26)16(12-23-17)20(27)25-7-1-2-8-25/h3-4,11-13H,1-2,5-10H2,(H2,22,26).
What are the key properties of 1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide?
1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53333806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).