6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid

C20H17Cl2NO2 — CID 71556292

IUPAC6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1nc2ccc(Cl)cc2c(Cc2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C20H17Cl2NO2/c1-11(2)19-18(20(24)25)15(9-12-5-3-4-6-16(12)22)14-10-13(21)7-8-17(14)23-19/h3-8,10-11H,9H2,1-2H3,(H,24,25)
InChIKeyAQHZFBKZUPBHAR-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.95
Rot. Bonds4

About 6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid

6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid (PubChem CID 71556292) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid
PubChem CID71556292
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1nc2ccc(Cl)cc2c(Cc2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C20H17Cl2NO2/c1-11(2)19-18(20(24)25)15(9-12-5-3-4-6-16(12)22)14-10-13(21)7-8-17(14)23-19/h3-8,10-11H,9H2,1-2H3,(H,24,25)
InChIKeyAQHZFBKZUPBHAR-UHFFFAOYSA-N
XLogP5.95
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-propan-2-yl-4-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylic acid
CID 71556819
ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate
CID 86683022
ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-cyclopropylquinoline-3-carboxylate
CID 86682929
ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate
CID 86683014
7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984412
6-chloro-2-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid
CID 71556290
6-[(2-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71695537
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
2-[(2-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360289
4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid
CID 142395274
2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate
CID 8966809
6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid
CID 62631969

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid (CID 71556292) is 6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid is CC(C)c1nc2ccc(Cl)cc2c(Cc2ccccc2Cl)c1C(=O)O.
What is the InChIKey of 6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid?
The InChIKey is AQHZFBKZUPBHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-11(2)19-18(20(24)25)15(9-12-5-3-4-6-16(12)22)14-10-13(21)7-8-17(14)23-19/h3-8,10-11H,9H2,1-2H3,(H,24,25).
What are the key properties of 6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid?
6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid has a molecular weight of 374.27 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2-chlorophenyl)methyl]-2-propan-2-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 71556292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).