(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide

C16H16FN3O2 — CID 94512731

IUPAC(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC[C@H](C(N)=O)C2)c2ccc(F)cc2n1
InChIInChI=1S/C16H16FN3O2/c1-9-6-13(12-3-2-11(17)7-14(12)19-9)16(22)20-5-4-10(8-20)15(18)21/h2-3,6-7,10H,4-5,8H2,1H3,(H2,18,21)/t10-/m0/s1
InChIKeyCTLXXHUEXUYMIZ-JTQLQIEISA-N
MW301.32 g/mol
LogP1.63
Rot. Bonds2

About (3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide

(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 94512731) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is (3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID94512731
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC[C@H](C(N)=O)C2)c2ccc(F)cc2n1
InChIInChI=1S/C16H16FN3O2/c1-9-6-13(12-3-2-11(17)7-14(12)19-9)16(22)20-5-4-10(8-20)15(18)21/h2-3,6-7,10H,4-5,8H2,1H3,(H2,18,21)/t10-/m0/s1
InChIKeyCTLXXHUEXUYMIZ-JTQLQIEISA-N
XLogP1.63
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95274650
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55956901
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575
[(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 95730064
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
(7-fluoro-2-methylquinolin-4-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203565
4-[(3R)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]cyclohexa-1,3-diene-1-carboxylic acid
CID 167105970
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46686968
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide (CID 94512731) is (3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide is Cc1cc(C(=O)N2CC[C@H](C(N)=O)C2)c2ccc(F)cc2n1.
What is the InChIKey of (3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is CTLXXHUEXUYMIZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-9-6-13(12-3-2-11(17)7-14(12)19-9)16(22)20-5-4-10(8-20)15(18)21/h2-3,6-7,10H,4-5,8H2,1H3,(H2,18,21)/t10-/m0/s1.
What are the key properties of (3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide?
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94512731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).