7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid

C19H15Cl2NO2 — CID 150573835

IUPAC7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1nc2cc(Cl)ccc2c(-c2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C19H15Cl2NO2/c1-10(2)18-17(19(23)24)16(12-5-3-4-6-14(12)21)13-8-7-11(20)9-15(13)22-18/h3-10H,1-2H3,(H,23,24)
InChIKeyIMJWHORFNAAKGM-UHFFFAOYSA-N
MW360.24 g/mol
LogP6.03
Rot. Bonds3

About 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid

7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid (PubChem CID 150573835) has the molecular formula C19H15Cl2NO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid
PubChem CID150573835
Molecular FormulaC19H15Cl2NO2
Molecular Weight360.24 g/mol
Exact Mass359.05
IUPAC Name7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1nc2cc(Cl)ccc2c(-c2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C19H15Cl2NO2/c1-10(2)18-17(19(23)24)16(12-5-3-4-6-14(12)21)13-8-7-11(20)9-15(13)22-18/h3-10H,1-2H3,(H,23,24)
InChIKeyIMJWHORFNAAKGM-UHFFFAOYSA-N
XLogP6.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid (CID 150573835) is 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid is CC(C)c1nc2cc(Cl)ccc2c(-c2ccccc2Cl)c1C(=O)O.
What is the InChIKey of 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
The InChIKey is IMJWHORFNAAKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2/c1-10(2)18-17(19(23)24)16(12-5-3-4-6-14(12)21)13-8-7-11(20)9-15(13)22-18/h3-10H,1-2H3,(H,23,24).
What are the key properties of 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid has a molecular weight of 360.24 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 150573835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).