(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid

C15H15ClN2O3 — CID 79009434

IUPAC(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cc(Cl)c2ccccc2n1)C(=O)O
InChIInChI=1S/C15H15ClN2O3/c1-8(2)13(15(20)21)18-14(19)12-7-10(16)9-5-3-4-6-11(9)17-12/h3-8,13H,1-2H3,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyLELZQIGFHAVWAQ-CYBMUJFWSA-N
MW306.75 g/mol
LogP2.73
Rot. Bonds4

About (2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 79009434) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is (2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
PubChem CID79009434
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cc(Cl)c2ccccc2n1)C(=O)O
InChIInChI=1S/C15H15ClN2O3/c1-8(2)13(15(20)21)18-14(19)12-7-10(16)9-5-3-4-6-11(9)17-12/h3-8,13H,1-2H3,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyLELZQIGFHAVWAQ-CYBMUJFWSA-N
XLogP2.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
CID 79249088
4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
CID 55184889
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 63376246
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
4-chloro-N-(1-cyanobutan-2-yl)quinoline-2-carboxamide
CID 63376390
4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
CID 83017398
4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106153342
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid (CID 79009434) is (2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)c1cc(Cl)c2ccccc2n1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is LELZQIGFHAVWAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-8(2)13(15(20)21)18-14(19)12-7-10(16)9-5-3-4-6-11(9)17-12/h3-8,13H,1-2H3,(H,18,19)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 306.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 79009434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).