4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid

C15H18N2O2 — CID 55185061

IUPAC4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
SMILESCCC(C)(C)Nc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-4-15(2,3)17-12-9-13(14(18)19)16-11-8-6-5-7-10(11)12/h5-9H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyUAEFRMXLDKAEFJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.53
Rot. Bonds4

About 4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid

4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid (PubChem CID 55185061) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
PubChem CID55185061
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
SMILESCCC(C)(C)Nc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-4-15(2,3)17-12-9-13(14(18)19)16-11-8-6-5-7-10(11)12/h5-9H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyUAEFRMXLDKAEFJ-UHFFFAOYSA-N
XLogP3.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
4-(2-ethoxyethylamino)quinoline-2-carboxylic acid
CID 55183063
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
CID 63377479
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
CID 106293362
4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
CID 63377476
4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid
CID 114468112
4-(2-chloroanilino)quinoline-2-carboxylic acid
CID 63538967
4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 62041805
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
CID 63377198

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid (CID 55185061) is 4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid is CCC(C)(C)Nc1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid?
The InChIKey is UAEFRMXLDKAEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-15(2,3)17-12-9-13(14(18)19)16-11-8-6-5-7-10(11)12/h5-9H,4H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid?
4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 55185061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).