ethane;quinoline-6-carboxylic acid

C12H13NO2 — CID 91364452

IUPACethane;quinoline-6-carboxylic acid
SMILESCC.O=C(O)c1ccc2ncccc2c1
InChIInChI=1S/C10H7NO2.C2H6/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-2/h1-6H,(H,12,13);1-2H3
InChIKeyALWHTIDTFJSRRP-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.96
Rot. Bonds1

About ethane;quinoline-6-carboxylic acid

ethane;quinoline-6-carboxylic acid (PubChem CID 91364452) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethane;quinoline-6-carboxylic acid.

Molecular Properties

Compound Nameethane;quinoline-6-carboxylic acid
PubChem CID91364452
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameethane;quinoline-6-carboxylic acid
SMILESCC.O=C(O)c1ccc2ncccc2c1
InChIInChI=1S/C10H7NO2.C2H6/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-2/h1-6H,(H,12,13);1-2H3
InChIKeyALWHTIDTFJSRRP-UHFFFAOYSA-N
XLogP2.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;quinoline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one
CID 81198324
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
2,2-dimethoxy-1-quinolin-6-ylethanone
CID 81221029
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
3-methoxybenzoic acid;quinoline
CID 67785482
(E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid
CID 175310043
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342

Frequently Asked Questions

What is the IUPAC name of ethane;quinoline-6-carboxylic acid?
The IUPAC name of ethane;quinoline-6-carboxylic acid (CID 91364452) is ethane;quinoline-6-carboxylic acid.
What is the SMILES notation for ethane;quinoline-6-carboxylic acid?
The canonical SMILES for ethane;quinoline-6-carboxylic acid is CC.O=C(O)c1ccc2ncccc2c1.
What is the InChIKey of ethane;quinoline-6-carboxylic acid?
The InChIKey is ALWHTIDTFJSRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C2H6/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-2/h1-6H,(H,12,13);1-2H3.
What are the key properties of ethane;quinoline-6-carboxylic acid?
ethane;quinoline-6-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;quinoline-6-carboxylic acid is sourced from PubChem (CID 91364452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).