(2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid

C16H17ClN2O3 — CID 166384100

IUPAC(2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid
SMILESCCCC[C@@H](NC(=O)c1c(Cl)ccc2ncccc12)C(=O)O
InChIInChI=1S/C16H17ClN2O3/c1-2-3-6-13(16(21)22)19-15(20)14-10-5-4-9-18-12(10)8-7-11(14)17/h4-5,7-9,13H,2-3,6H2,1H3,(H,19,20)(H,21,22)/t13-/m1/s1
InChIKeyGUYOAWFJMIJXJC-CYBMUJFWSA-N
MW320.78 g/mol
LogP3.26
Rot. Bonds6

About (2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid

(2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid (PubChem CID 166384100) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is (2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid
PubChem CID166384100
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name(2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid
SMILESCCCC[C@@H](NC(=O)c1c(Cl)ccc2ncccc12)C(=O)O
InChIInChI=1S/C16H17ClN2O3/c1-2-3-6-13(16(21)22)19-15(20)14-10-5-4-9-18-12(10)8-7-11(14)17/h4-5,7-9,13H,2-3,6H2,1H3,(H,19,20)(H,21,22)/t13-/m1/s1
InChIKeyGUYOAWFJMIJXJC-CYBMUJFWSA-N
XLogP3.26
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
2-[(2-bromopyridine-3-carbonyl)amino]hexanoic acid
CID 104543371
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
CID 120615460
(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
CID 107144107
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
2-(pyridin-2-ylcarbamoylamino)hexanoic acid
CID 110491750
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid
CID 43387014
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid
CID 120615249
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid?
The IUPAC name of (2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid (CID 166384100) is (2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid is CCCC[C@@H](NC(=O)c1c(Cl)ccc2ncccc12)C(=O)O.
What is the InChIKey of (2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid?
The InChIKey is GUYOAWFJMIJXJC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-2-3-6-13(16(21)22)19-15(20)14-10-5-4-9-18-12(10)8-7-11(14)17/h4-5,7-9,13H,2-3,6H2,1H3,(H,19,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid?
(2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid has a molecular weight of 320.78 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 166384100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).