6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane

C20H20ClNO2 — CID 143490047

IUPAC6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
SMILESCCC.Cc1ccccc1-c1cc(C(=O)O)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H12ClNO2.C3H8/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-8-11(18)6-7-15(13)19-16;1-3-2/h2-9H,1H3,(H,20,21);3H2,1-2H3
InChIKeyMRKRONXDQBYXRD-UHFFFAOYSA-N
MW341.84 g/mol
LogP5.98
Rot. Bonds2

About 6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane

6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane (PubChem CID 143490047) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane.

Molecular Properties

Compound Name6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
PubChem CID143490047
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
SMILESCCC.Cc1ccccc1-c1cc(C(=O)O)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H12ClNO2.C3H8/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-8-11(18)6-7-15(13)19-16;1-3-2/h2-9H,1H3,(H,20,21);3H2,1-2H3
InChIKeyMRKRONXDQBYXRD-UHFFFAOYSA-N
XLogP5.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
6-chloro-2-[1-(5-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxylic acid
CID 58487625
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid
CID 12784962
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane?
The IUPAC name of 6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane (CID 143490047) is 6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane.
What is the SMILES notation for 6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane?
The canonical SMILES for 6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane is CCC.Cc1ccccc1-c1cc(C(=O)O)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane?
The InChIKey is MRKRONXDQBYXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2.C3H8/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-8-11(18)6-7-15(13)19-16;1-3-2/h2-9H,1H3,(H,20,21);3H2,1-2H3.
What are the key properties of 6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane?
6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane has a molecular weight of 341.84 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane is sourced from PubChem (CID 143490047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).