methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate

C14H14ClNO3 — CID 112618441

IUPACmethyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)C(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14ClNO3/c1-8(14(18)19-2)13(17)10-5-6-11(15)9-4-3-7-16-12(9)10/h3-8,13,17H,1-2H3
InChIKeyIAZINOWOWXJPKH-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.73
Rot. Bonds3

About methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate

methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate (PubChem CID 112618441) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
PubChem CID112618441
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Namemethyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)C(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14ClNO3/c1-8(14(18)19-2)13(17)10-5-6-11(15)9-4-3-7-16-12(9)10/h3-8,13,17H,1-2H3
InChIKeyIAZINOWOWXJPKH-UHFFFAOYSA-N
XLogP2.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate
CID 115959645
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
CID 115960338
2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide
CID 115959599
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222
methyl 3-(5-chloroquinolin-8-yl)-3-(propylamino)propanoate
CID 115960570
1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 115959539
methyl 4-(5-bromoquinolin-8-yl)-4-hydroxy-2-methylbutanoate
CID 115960217
methyl 3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-methylpropanoate
CID 114488817

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate (CID 112618441) is methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate is COC(=O)C(C)C(O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate?
The InChIKey is IAZINOWOWXJPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-8(14(18)19-2)13(17)10-5-6-11(15)9-4-3-7-16-12(9)10/h3-8,13,17H,1-2H3.
What are the key properties of methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate?
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate has a molecular weight of 279.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 112618441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).