8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid

C14H13ClN2O2 — CID 39732450

IUPAC8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(Cl)cccc2c1N1CCCC1
InChIInChI=1S/C14H13ClN2O2/c15-11-5-3-4-9-12(11)16-8-10(14(18)19)13(9)17-6-1-2-7-17/h3-5,8H,1-2,6-7H2,(H,18,19)
InChIKeyLGGLWDVTDKLHHR-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.19
Rot. Bonds2

About 8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid

8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid (PubChem CID 39732450) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
PubChem CID39732450
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(Cl)cccc2c1N1CCCC1
InChIInChI=1S/C14H13ClN2O2/c15-11-5-3-4-9-12(11)16-8-10(14(18)19)13(9)17-6-1-2-7-17/h3-5,8H,1-2,6-7H2,(H,18,19)
InChIKeyLGGLWDVTDKLHHR-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

8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732432
ethyl 4-(4-benzylpiperazin-1-yl)-8-chloroquinoline-3-carboxylate
CID 43840467
4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 7749059
1,5-dichloroisoquinoline-4-carboxylic acid
CID 84703045
4-(4-benzylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 7137753
8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 91953635
3-chloro-2-(4,4-dimethylazepan-1-yl)benzoic acid
CID 114067335
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
8-chloroquinazoline-4-carboxylic acid
CID 105462454
(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059656
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid (CID 39732450) is 8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid is O=C(O)c1cnc2c(Cl)cccc2c1N1CCCC1.
What is the InChIKey of 8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The InChIKey is LGGLWDVTDKLHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-5-3-4-9-12(11)16-8-10(14(18)19)13(9)17-6-1-2-7-17/h3-5,8H,1-2,6-7H2,(H,18,19).
What are the key properties of 8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
8-chloro-4-pyrrolidin-1-ylquinoline-3-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 8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 39732450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).