2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid

C23H30N2O2 — CID 58476183

IUPAC2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC(C)(CN)Cc1cccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)c1
InChIInChI=1S/C23H30N2O2/c1-22(2,14-24)12-15-6-5-7-16(10-15)20-23(3,4)13-18-11-17(21(26)27)8-9-19(18)25-20/h5-11,20,25H,12-14,24H2,1-4H3,(H,26,27)
InChIKeyNLXJCYDRDYIHCT-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.65
Rot. Bonds5

About 2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid

2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid (PubChem CID 58476183) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
PubChem CID58476183
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC(C)(CN)Cc1cccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)c1
InChIInChI=1S/C23H30N2O2/c1-22(2,14-24)12-15-6-5-7-16(10-15)20-23(3,4)13-18-11-17(21(26)27)8-9-19(18)25-20/h5-11,20,25H,12-14,24H2,1-4H3,(H,26,27)
InChIKeyNLXJCYDRDYIHCT-UHFFFAOYSA-N
XLogP4.65
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The IUPAC name of 2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid (CID 58476183) is 2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid is CC(C)(CN)Cc1cccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)c1.
What is the InChIKey of 2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The InChIKey is NLXJCYDRDYIHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-22(2,14-24)12-15-6-5-7-16(10-15)20-23(3,4)13-18-11-17(21(26)27)8-9-19(18)25-20/h5-11,20,25H,12-14,24H2,1-4H3,(H,26,27).
What are the key properties of 2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid has a molecular weight of 366.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 58476183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).