4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid

C15H18N2O3 — CID 7138077

IUPAC4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid
SMILESCC[C@H](CO)Nc1cc(C)nc2cc(C(=O)O)ccc12
InChIInChI=1S/C15H18N2O3/c1-3-11(8-18)17-13-6-9(2)16-14-7-10(15(19)20)4-5-12(13)14/h4-7,11,18H,3,8H2,1-2H3,(H,16,17)(H,19,20)/t11-/m1/s1
InChIKeySRXZQJFZBUCCOL-LLVKDONJSA-N
MW274.32 g/mol
LogP2.42
Rot. Bonds5

About 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid

4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid (PubChem CID 7138077) 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-7-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid
PubChem CID7138077
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid
SMILESCC[C@H](CO)Nc1cc(C)nc2cc(C(=O)O)ccc12
InChIInChI=1S/C15H18N2O3/c1-3-11(8-18)17-13-6-9(2)16-14-7-10(15(19)20)4-5-12(13)14/h4-7,11,18H,3,8H2,1-2H3,(H,16,17)(H,19,20)/t11-/m1/s1
InChIKeySRXZQJFZBUCCOL-LLVKDONJSA-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

Analyze 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid with MolForge

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Related Compounds

4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid
CID 7138156
4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid
CID 7138098
2-(1-hydroxybutan-2-ylamino)-1,3-benzoxazole-6-carboxylic acid
CID 114093801
2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
CID 133368202
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
3-chloro-4-(pentan-3-ylamino)benzoic acid
CID 63087281
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid
CID 7137915
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 139269662
4-chloro-2-ethylquinoline-7-carboxylic acid
CID 126753847

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid?
The IUPAC name of 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid (CID 7138077) is 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid?
The canonical SMILES for 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid is CC[C@H](CO)Nc1cc(C)nc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid?
The InChIKey is SRXZQJFZBUCCOL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-11(8-18)17-13-6-9(2)16-14-7-10(15(19)20)4-5-12(13)14/h4-7,11,18H,3,8H2,1-2H3,(H,16,17)(H,19,20)/t11-/m1/s1.
What are the key properties of 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid?
4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-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-7-carboxylic acid is sourced from PubChem (CID 7138077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).