2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid

C24H24N2O2 — CID 67458350

IUPAC2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-24(2)15-18-14-17(23(27)28)10-13-21(18)26-22(24)16-8-11-20(12-9-16)25-19-6-4-3-5-7-19/h3-14,22,25-26H,15H2,1-2H3,(H,27,28)
InChIKeyMMCZVRBRMMNNEQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.86
Rot. Bonds4

About 2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid

2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid (PubChem CID 67458350) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
PubChem CID67458350
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-24(2)15-18-14-17(23(27)28)10-13-21(18)26-22(24)16-8-11-20(12-9-16)25-19-6-4-3-5-7-19/h3-14,22,25-26H,15H2,1-2H3,(H,27,28)
InChIKeyMMCZVRBRMMNNEQ-UHFFFAOYSA-N
XLogP5.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The IUPAC name of 2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid (CID 67458350) is 2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid is CC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The InChIKey is MMCZVRBRMMNNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-24(2)15-18-14-17(23(27)28)10-13-21(18)26-22(24)16-8-11-20(12-9-16)25-19-6-4-3-5-7-19/h3-14,22,25-26H,15H2,1-2H3,(H,27,28).
What are the key properties of 2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 5.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 67458350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).