4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid

C15H18N2O3 — CID 7138156

IUPAC4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid
SMILESCC[C@H](CO)Nc1cc(C)nc2c(C(=O)O)cccc12
InChIInChI=1S/C15H18N2O3/c1-3-10(8-18)17-13-7-9(2)16-14-11(13)5-4-6-12(14)15(19)20/h4-7,10,18H,3,8H2,1-2H3,(H,16,17)(H,19,20)/t10-/m1/s1
InChIKeyORZXVGLEFAUCFE-SNVBAGLBSA-N
MW274.32 g/mol
LogP2.42
Rot. Bonds5

About 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid

4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid (PubChem CID 7138156) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid
PubChem CID7138156
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid
SMILESCC[C@H](CO)Nc1cc(C)nc2c(C(=O)O)cccc12
InChIInChI=1S/C15H18N2O3/c1-3-10(8-18)17-13-7-9(2)16-14-11(13)5-4-6-12(14)15(19)20/h4-7,10,18H,3,8H2,1-2H3,(H,16,17)(H,19,20)/t10-/m1/s1
InChIKeyORZXVGLEFAUCFE-SNVBAGLBSA-N
XLogP2.42
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid
CID 7138077
4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
CID 7138171
4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate
CID 54698935
2-(pentan-3-ylamino)benzoic acid
CID 43139564
8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
CID 18002698
8-[[(2R)-1-hydroxybutan-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 107214770
2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
CID 133368202
2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide
CID 122185951
4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide
CID 122185963
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
2-(hexan-3-ylamino)benzoic acid
CID 62230532

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid?
The IUPAC name of 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid (CID 7138156) is 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid?
The canonical SMILES for 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid is CC[C@H](CO)Nc1cc(C)nc2c(C(=O)O)cccc12.
What is the InChIKey of 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid?
The InChIKey is ORZXVGLEFAUCFE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-10(8-18)17-13-7-9(2)16-14-11(13)5-4-6-12(14)15(19)20/h4-7,10,18H,3,8H2,1-2H3,(H,16,17)(H,19,20)/t10-/m1/s1.
What are the key properties of 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid?
4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid is sourced from PubChem (CID 7138156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).