6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid

C14H13ClN2O2 — CID 118556113

IUPAC6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nc(N3CCCC3)ccc12
InChIInChI=1S/C14H13ClN2O2/c15-10-4-5-11-9(13(10)14(18)19)3-6-12(16-11)17-7-1-2-8-17/h3-6H,1-2,7-8H2,(H,18,19)
InChIKeyHFUDTZYAVBKHCE-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.19
Rot. Bonds2

About 6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid

6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid (PubChem CID 118556113) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid
PubChem CID118556113
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nc(N3CCCC3)ccc12
InChIInChI=1S/C14H13ClN2O2/c15-10-4-5-11-9(13(10)14(18)19)3-6-12(16-11)17-7-1-2-8-17/h3-6H,1-2,7-8H2,(H,18,19)
InChIKeyHFUDTZYAVBKHCE-UHFFFAOYSA-N
XLogP3.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-5-carboxylic acid;2,6-dichloroquinoline-5-carboxylic acid
CID 160563241
6-chloro-2-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]quinoline-5-carboxylic acid
CID 118555993
6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
CID 118559729
6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine
CID 144973424
N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
CID 142972253
4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid
CID 69322377
2-(azetidin-1-yl)-6-chloro-N-[[(1S)-3,3-difluoro-1-hydroxycyclohexyl]methyl]quinoline-5-carboxamide
CID 118566648
ethyl 1-[6-chloro-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylate
CID 68809358
6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid
CID 118556049
6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid
CID 118556115
6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid
CID 118556050
1-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 11540527

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid?
The IUPAC name of 6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid (CID 118556113) is 6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid.
What is the SMILES notation for 6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid?
The canonical SMILES for 6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid is O=C(O)c1c(Cl)ccc2nc(N3CCCC3)ccc12.
What is the InChIKey of 6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid?
The InChIKey is HFUDTZYAVBKHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-10-4-5-11-9(13(10)14(18)19)3-6-12(16-11)17-7-1-2-8-17/h3-6H,1-2,7-8H2,(H,18,19).
What are the key properties of 6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid?
6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid is sourced from PubChem (CID 118556113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).