[(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone

C22H31FN4O — CID 95730064

IUPAC[(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](N(C)CCCN(C)C)C2)c2ccc(F)cc2n1
InChIInChI=1S/C22H31FN4O/c1-16-13-20(19-9-8-17(23)14-21(19)24-16)22(28)27-12-5-7-18(15-27)26(4)11-6-10-25(2)3/h8-9,13-14,18H,5-7,10-12,15H2,1-4H3/t18-/m1/s1
InChIKeyUNXBHIPNMMHKCI-GOSISDBHSA-N
MW386.52 g/mol
LogP3.17
Rot. Bonds6

About [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone

[(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone (PubChem CID 95730064) has the molecular formula C22H31FN4O and a molecular weight of 386.52 g/mol. Its IUPAC name is [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
PubChem CID95730064
Molecular FormulaC22H31FN4O
Molecular Weight386.52 g/mol
Exact Mass386.25
IUPAC Name[(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](N(C)CCCN(C)C)C2)c2ccc(F)cc2n1
InChIInChI=1S/C22H31FN4O/c1-16-13-20(19-9-8-17(23)14-21(19)24-16)22(28)27-12-5-7-18(15-27)26(4)11-6-10-25(2)3/h8-9,13-14,18H,5-7,10-12,15H2,1-4H3/t18-/m1/s1
InChIKeyUNXBHIPNMMHKCI-GOSISDBHSA-N
XLogP3.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone with MolForge

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Related Compounds

(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575
tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 47796234
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)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
(7-fluoro-2-methylquinolin-4-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203565
7-fluoro-N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 109400346
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70732609
(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55956901
(7-fluoro-2-methylquinolin-4-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 155498674

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone?
The IUPAC name of [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone (CID 95730064) is [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone?
The canonical SMILES for [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H](N(C)CCCN(C)C)C2)c2ccc(F)cc2n1.
What is the InChIKey of [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone?
The InChIKey is UNXBHIPNMMHKCI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31FN4O/c1-16-13-20(19-9-8-17(23)14-21(19)24-16)22(28)27-12-5-7-18(15-27)26(4)11-6-10-25(2)3/h8-9,13-14,18H,5-7,10-12,15H2,1-4H3/t18-/m1/s1.
What are the key properties of [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone?
[(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone has a molecular weight of 386.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 95730064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).