4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid

C16H20N2O2 — CID 61341531

IUPAC4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
SMILESCCN(CC(C)C)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-4-18(10-11(2)3)15-12-7-5-6-8-14(12)17-9-13(15)16(19)20/h5-9,11H,4,10H2,1-3H3,(H,19,20)
InChIKeyPGHJKDHTBPFNNQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.42
Rot. Bonds5

About 4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid

4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid (PubChem CID 61341531) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
PubChem CID61341531
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
SMILESCCN(CC(C)C)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-4-18(10-11(2)3)15-12-7-5-6-8-14(12)17-9-13(15)16(19)20/h5-9,11H,4,10H2,1-3H3,(H,19,20)
InChIKeyPGHJKDHTBPFNNQ-UHFFFAOYSA-N
XLogP3.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
4-[ethyl(2-methylpropyl)amino]quinoline-3-carbothioamide
CID 43669643
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
CID 61012802
4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid
CID 63228175
4-butoxyquinoline-3-carboxylic acid
CID 61339357
4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79672341
4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide
CID 43669634
[2-[ethyl(2-methylpropyl)amino]quinolin-4-yl]methanol
CID 61256243
4-pentoxyquinoline-3-carboxylic acid
CID 61339358

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid (CID 61341531) is 4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid is CCN(CC(C)C)c1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid?
The InChIKey is PGHJKDHTBPFNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-18(10-11(2)3)15-12-7-5-6-8-14(12)17-9-13(15)16(19)20/h5-9,11H,4,10H2,1-3H3,(H,19,20).
What are the key properties of 4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid?
4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 61341531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).