4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid

C14H16N2O2 — CID 61339360

IUPAC4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
SMILESCC(C)N(C)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-9(2)16(3)13-10-6-4-5-7-12(10)15-8-11(13)14(17)18/h4-9H,1-3H3,(H,17,18)
InChIKeyBEWSGLHRDOMNAH-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.78
Rot. Bonds3

About 4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid

4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid (PubChem CID 61339360) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
PubChem CID61339360
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
SMILESCC(C)N(C)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-9(2)16(3)13-10-6-4-5-7-12(10)15-8-11(13)14(17)18/h4-9H,1-3H3,(H,17,18)
InChIKeyBEWSGLHRDOMNAH-UHFFFAOYSA-N
XLogP2.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid
CID 63228175
2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
CID 62637373
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
CID 61341531
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
4-(1-methoxyethyl)quinoline-3-carboxylic acid
CID 135324304
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
4-(3-hydroxybutan-2-ylsulfanyl)quinoline-3-carboxylic acid
CID 107770192
4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79672341

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid (CID 61339360) is 4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid is CC(C)N(C)c1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
The InChIKey is BEWSGLHRDOMNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)16(3)13-10-6-4-5-7-12(10)15-8-11(13)14(17)18/h4-9H,1-3H3,(H,17,18).
What are the key properties of 4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 61339360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).