8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one

C17H21ClN2O — CID 3844691

IUPAC8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCCCC1C
InChIInChI=1S/C17H21ClN2O/c1-11-6-3-4-9-20(11)10-14-12(2)19-16-13(17(14)21)7-5-8-15(16)18/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,19,21)
InChIKeyHHZMRPYWQIYNQQ-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.86
Rot. Bonds2

About 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one

8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one (PubChem CID 3844691) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
PubChem CID3844691
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCCCC1C
InChIInChI=1S/C17H21ClN2O/c1-11-6-3-4-9-20(11)10-14-12(2)19-16-13(17(14)21)7-5-8-15(16)18/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,19,21)
InChIKeyHHZMRPYWQIYNQQ-UHFFFAOYSA-N
XLogP3.86
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one (CID 3844691) is 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one is Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCCCC1C.
What is the InChIKey of 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
The InChIKey is HHZMRPYWQIYNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11-6-3-4-9-20(11)10-14-12(2)19-16-13(17(14)21)7-5-8-15(16)18/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,19,21).
What are the key properties of 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one has a molecular weight of 304.82 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 3844691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).