(6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol

C13H14ClNO — CID 125451461

IUPAC(6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol
SMILESCCc1c(CO)c(C)nc2ccc(Cl)cc12
InChIInChI=1S/C13H14ClNO/c1-3-10-11-6-9(14)4-5-13(11)15-8(2)12(10)7-16/h4-6,16H,3,7H2,1-2H3
InChIKeyBXBOZPSGLRWBCR-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.25
Rot. Bonds2

About (6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol

(6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol (PubChem CID 125451461) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is (6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol.

Molecular Properties

Compound Name(6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol
PubChem CID125451461
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name(6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol
SMILESCCc1c(CO)c(C)nc2ccc(Cl)cc12
InChIInChI=1S/C13H14ClNO/c1-3-10-11-6-9(14)4-5-13(11)15-8(2)12(10)7-16/h4-6,16H,3,7H2,1-2H3
InChIKeyBXBOZPSGLRWBCR-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol?
The IUPAC name of (6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol (CID 125451461) is (6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol.
What is the SMILES notation for (6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol?
The canonical SMILES for (6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol is CCc1c(CO)c(C)nc2ccc(Cl)cc12.
What is the InChIKey of (6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol?
The InChIKey is BXBOZPSGLRWBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-3-10-11-6-9(14)4-5-13(11)15-8(2)12(10)7-16/h4-6,16H,3,7H2,1-2H3.
What are the key properties of (6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol?
(6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol has a molecular weight of 235.71 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol is sourced from PubChem (CID 125451461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).