8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one

C15H17ClN2O — CID 728862

IUPAC8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCCC1
InChIInChI=1S/C15H17ClN2O/c1-10-12(9-18-7-2-3-8-18)15(19)11-5-4-6-13(16)14(11)17-10/h4-6H,2-3,7-9H2,1H3,(H,17,19)
InChIKeyVPGMRSJOXHUOLH-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.09
Rot. Bonds2

About 8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one

8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one (PubChem CID 728862) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one
PubChem CID728862
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCCC1
InChIInChI=1S/C15H17ClN2O/c1-10-12(9-18-7-2-3-8-18)15(19)11-5-4-6-13(16)14(11)17-10/h4-6H,2-3,7-9H2,1H3,(H,17,19)
InChIKeyVPGMRSJOXHUOLH-UHFFFAOYSA-N
XLogP3.09
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.09
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-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one (CID 728862) is 8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one is Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCCC1.
What is the InChIKey of 8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one?
The InChIKey is VPGMRSJOXHUOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-12(9-18-7-2-3-8-18)15(19)11-5-4-6-13(16)14(11)17-10/h4-6H,2-3,7-9H2,1H3,(H,17,19).
What are the key properties of 8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one?
8-chloro-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one has a molecular weight of 276.77 g/mol, XLogP of 3.09, 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-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 728862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).