6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid

C19H16ClNO2 — CID 71556166

IUPAC6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23)
InChIKeyCDYJYWKBTLRTHP-UHFFFAOYSA-N
MW325.80 g/mol
LogP5.38
Rot. Bonds3

About 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid

6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid (PubChem CID 71556166) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid
PubChem CID71556166
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23)
InChIKeyCDYJYWKBTLRTHP-UHFFFAOYSA-N
XLogP5.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.80
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid (CID 71556166) is 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid is CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid?
The InChIKey is CDYJYWKBTLRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23).
What are the key properties of 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid?
6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid has a molecular weight of 325.80 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 71556166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).