2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol

C17H21ClN2O — CID 111858903

IUPAC2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol
SMILESCc1c(Cl)c(CN(C)CC(O)C2CC2)nc2ccccc12
InChIInChI=1S/C17H21ClN2O/c1-11-13-5-3-4-6-14(13)19-15(17(11)18)9-20(2)10-16(21)12-7-8-12/h3-6,12,16,21H,7-10H2,1-2H3
InChIKeyDQQZFBGTGLKHSO-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.40
Rot. Bonds5

About 2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol

2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol (PubChem CID 111858903) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol
PubChem CID111858903
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol
SMILESCc1c(Cl)c(CN(C)CC(O)C2CC2)nc2ccccc12
InChIInChI=1S/C17H21ClN2O/c1-11-13-5-3-4-6-14(13)19-15(17(11)18)9-20(2)10-16(21)12-7-8-12/h3-6,12,16,21H,7-10H2,1-2H3
InChIKeyDQQZFBGTGLKHSO-UHFFFAOYSA-N
XLogP3.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol (CID 111858903) is 2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol is Cc1c(Cl)c(CN(C)CC(O)C2CC2)nc2ccccc12.
What is the InChIKey of 2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol?
The InChIKey is DQQZFBGTGLKHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11-13-5-3-4-6-14(13)19-15(17(11)18)9-20(2)10-16(21)12-7-8-12/h3-6,12,16,21H,7-10H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol?
2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol has a molecular weight of 304.82 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 111858903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).