6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid

C19H16Cl2N2O2 — CID 71556619

IUPAC6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid
SMILESCCN(C)c1nc2c(Cl)cc(Cl)cc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C19H16Cl2N2O2/c1-3-23(2)18-16(19(24)25)15(11-7-5-4-6-8-11)13-9-12(20)10-14(21)17(13)22-18/h4-10H,3H2,1-2H3,(H,24,25)
InChIKeyRNRWKMXASDHXSW-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.36
Rot. Bonds4

About 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid

6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid (PubChem CID 71556619) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid
PubChem CID71556619
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid
SMILESCCN(C)c1nc2c(Cl)cc(Cl)cc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C19H16Cl2N2O2/c1-3-23(2)18-16(19(24)25)15(11-7-5-4-6-8-11)13-9-12(20)10-14(21)17(13)22-18/h4-10H,3H2,1-2H3,(H,24,25)
InChIKeyRNRWKMXASDHXSW-UHFFFAOYSA-N
XLogP5.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid?
The IUPAC name of 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid (CID 71556619) is 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid.
What is the SMILES notation for 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid?
The canonical SMILES for 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid is CCN(C)c1nc2c(Cl)cc(Cl)cc2c(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid?
The InChIKey is RNRWKMXASDHXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-3-23(2)18-16(19(24)25)15(11-7-5-4-6-8-11)13-9-12(20)10-14(21)17(13)22-18/h4-10H,3H2,1-2H3,(H,24,25).
What are the key properties of 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid?
6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid has a molecular weight of 375.26 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid is sourced from PubChem (CID 71556619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).