4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline

C20H18ClF2N3 — CID 59631080

IUPAC4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline
SMILESCc1c(-c2ccc(N3CCC(C)C3)nc2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C20H18ClF2N3/c1-11-5-6-26(10-11)17-4-3-13(9-24-17)20-12(2)19(21)18-15(23)7-14(22)8-16(18)25-20/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyJJNYKJDAKOEQIP-UHFFFAOYSA-N
MW373.83 g/mol
LogP5.38
Rot. Bonds2

About 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline

4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline (PubChem CID 59631080) has the molecular formula C20H18ClF2N3 and a molecular weight of 373.83 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline.

Molecular Properties

Compound Name4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline
PubChem CID59631080
Molecular FormulaC20H18ClF2N3
Molecular Weight373.83 g/mol
Exact Mass373.12
IUPAC Name4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline
SMILESCc1c(-c2ccc(N3CCC(C)C3)nc2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C20H18ClF2N3/c1-11-5-6-26(10-11)17-4-3-13(9-24-17)20-12(2)19(21)18-15(23)7-14(22)8-16(18)25-20/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyJJNYKJDAKOEQIP-UHFFFAOYSA-N
XLogP5.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.83
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimidin-5-yl)quinoline
CID 11723422
(R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 25156478
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
4-Chloro-2-(pyridin-2-yl)quinazoline
CID 930716
3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine
CID 5330145
1-[(3-Chlorophenyl)methyl]-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168295497
N-(7-chloro-4-quinolyl)-N'-(4-pyrrolidin-1-ylpyrimidin-2-yl)propane-1,3-diamine
CID 76310686
7-[4-(Dimethylamino)phenyl]-n,n-dimethyl-1,6-naphthyridin-5-amine
CID 10125483
N1-(7-(3-chlorophenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10125658
N1-(7-(3-fluorophenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10193068
13-Chloro-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11212921
CID 17961227
CID 17961227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline?
The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline (CID 59631080) is 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline.
What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline?
The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline is Cc1c(-c2ccc(N3CCC(C)C3)nc2)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline?
The InChIKey is JJNYKJDAKOEQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3/c1-11-5-6-26(10-11)17-4-3-13(9-24-17)20-12(2)19(21)18-15(23)7-14(22)8-16(18)25-20/h3-4,7-9,11H,5-6,10H2,1-2H3.
What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline?
4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline has a molecular weight of 373.83 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline is sourced from PubChem (CID 59631080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).