8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid

C18H11ClN2O2 — CID 18729725

IUPAC8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2c[nH]c3ccccc23)nc2c(Cl)cccc12
InChIInChI=1S/C18H11ClN2O2/c19-14-6-3-5-11-12(18(22)23)8-16(21-17(11)14)13-9-20-15-7-2-1-4-10(13)15/h1-9,20H,(H,22,23)
InChIKeyDIXGPMVJLLVLII-UHFFFAOYSA-N
MW322.75 g/mol
LogP4.73
Rot. Bonds2

About 8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid

8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid (PubChem CID 18729725) has the molecular formula C18H11ClN2O2 and a molecular weight of 322.75 g/mol. Its IUPAC name is 8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
PubChem CID18729725
Molecular FormulaC18H11ClN2O2
Molecular Weight322.75 g/mol
Exact Mass322.05
IUPAC Name8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2c[nH]c3ccccc23)nc2c(Cl)cccc12
InChIInChI=1S/C18H11ClN2O2/c19-14-6-3-5-11-12(18(22)23)8-16(21-17(11)14)13-9-20-15-7-2-1-4-10(13)15/h1-9,20H,(H,22,23)
InChIKeyDIXGPMVJLLVLII-UHFFFAOYSA-N
XLogP4.73
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbamoyl-8-chloroquinoline-4-carboxylic acid
CID 118172273
8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 3853520
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
CID 4603899
5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
CID 59950817
3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate
CID 4278514
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
8-chloro-2-phenylquinoline-5-carboxylic acid
CID 624950
2-(5-bromo-1-benzofuran-2-yl)-8-chloroquinoline-4-carboxylic acid
CID 4265645
6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
CID 82388103
(2,6-dichlorophenyl)-(1H-indol-3-yl)methanone
CID 43339266
1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160546260

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid?
The IUPAC name of 8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid (CID 18729725) is 8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2c[nH]c3ccccc23)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid?
The InChIKey is DIXGPMVJLLVLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2/c19-14-6-3-5-11-12(18(22)23)8-16(21-17(11)14)13-9-20-15-7-2-1-4-10(13)15/h1-9,20H,(H,22,23).
What are the key properties of 8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid?
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid has a molecular weight of 322.75 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 18729725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).