2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid

C14H12ClNO3 — CID 164911383

IUPAC2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid
SMILESCc1cc2cc(C(=O)O)cc(OC3CC3)c2nc1Cl
InChIInChI=1S/C14H12ClNO3/c1-7-4-8-5-9(14(17)18)6-11(19-10-2-3-10)12(8)16-13(7)15/h4-6,10H,2-3H2,1H3,(H,17,18)
InChIKeyKKGBKCGTHGGKEV-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.44
Rot. Bonds3

About 2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid

2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid (PubChem CID 164911383) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid
PubChem CID164911383
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid
SMILESCc1cc2cc(C(=O)O)cc(OC3CC3)c2nc1Cl
InChIInChI=1S/C14H12ClNO3/c1-7-4-8-5-9(14(17)18)6-11(19-10-2-3-10)12(8)16-13(7)15/h4-6,10H,2-3H2,1H3,(H,17,18)
InChIKeyKKGBKCGTHGGKEV-UHFFFAOYSA-N
XLogP3.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid
CID 64749295
3-chloro-8-cyclopropyloxy-6-methylquinoline
CID 156872367
4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 172731274
3-chloro-4-cyclopropyloxybenzoic acid;ethyl 3-chloro-4-cyclopropyloxybenzoate
CID 161018051
8-cyclopropyloxy-3,6-dimethylquinoline;formic acid
CID 156896216
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid
CID 43117999
ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate
CID 156872799
7-(1-methylpyrrolidin-3-yl)oxy-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 170650546
3,5-dimethyl-4-(oxan-4-yloxy)benzoic acid
CID 63937445
5-chloro-6-cyclopentyloxypyridine-3-carboxylic acid
CID 16796007
3-cyclopentyloxy-4-ethylbenzoic acid
CID 54073222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid?
The IUPAC name of 2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid (CID 164911383) is 2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid?
The canonical SMILES for 2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid is Cc1cc2cc(C(=O)O)cc(OC3CC3)c2nc1Cl.
What is the InChIKey of 2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid?
The InChIKey is KKGBKCGTHGGKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-7-4-8-5-9(14(17)18)6-11(19-10-2-3-10)12(8)16-13(7)15/h4-6,10H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid?
2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-cyclopropyloxy-3-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 164911383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).