1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid

C14H19NO2 — CID 82263645

IUPAC1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
SMILESCC(C)CN1CCCc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-7-3-4-11-5-6-12(14(16)17)8-13(11)15/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyZJMYZKBTDBYMHI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.79
Rot. Bonds3

About 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid

1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid (PubChem CID 82263645) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
PubChem CID82263645
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
SMILESCC(C)CN1CCCc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-7-3-4-11-5-6-12(14(16)17)8-13(11)15/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyZJMYZKBTDBYMHI-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
1-[2-(2-methylpropoxy)ethyl]-2,3-dihydroindole-6-carboxylic acid
CID 106454812
1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382494
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone
CID 82263545
5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid
CID 82263541
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824
1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid
CID 113382483
1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid
CID 114200376
6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole
CID 174880450
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid (CID 82263645) is 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid is CC(C)CN1CCCc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid?
The InChIKey is ZJMYZKBTDBYMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)9-15-7-3-4-11-5-6-12(14(16)17)8-13(11)15/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid?
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid is sourced from PubChem (CID 82263645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).