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

C18H24ClN2O+ — CID 3368624

IUPAC7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+]1CCCC(C)C1
InChIInChI=1S/C18H23ClN2O/c1-11-5-4-8-21(9-11)10-15-13(3)20-17-12(2)16(19)7-6-14(17)18(15)22/h6-7,11H,4-5,8-10H2,1-3H3,(H,20,22)/p+1
InChIKeyDJJFNASQPGYBEM-UHFFFAOYSA-O
MW319.86 g/mol
LogP2.61
Rot. Bonds2

About 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one

7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one (PubChem CID 3368624) has the molecular formula C18H24ClN2O+ and a molecular weight of 319.86 g/mol. Its IUPAC name is 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
PubChem CID3368624
Molecular FormulaC18H24ClN2O+
Molecular Weight319.86 g/mol
Exact Mass319.16
IUPAC Name7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+]1CCCC(C)C1
InChIInChI=1S/C18H23ClN2O/c1-11-5-4-8-21(9-11)10-15-13(3)20-17-12(2)16(19)7-6-14(17)18(15)22/h6-7,11H,4-5,8-10H2,1-3H3,(H,20,22)/p+1
InChIKeyDJJFNASQPGYBEM-UHFFFAOYSA-O
XLogP2.61
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212509
6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212656
7-chloro-2,8-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one
CID 3635045
6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212957
6-ethoxy-2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3252291
6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 6973135
2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one
CID 7212941
6-chloro-7-hydroxy-3,4-dimethyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one
CID 7481502
2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 709619
3-ethyl-7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one
CID 7481667
2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3303637
8-chloro-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one
CID 4671232

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
The IUPAC name of 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one (CID 3368624) is 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one is Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+]1CCCC(C)C1.
What is the InChIKey of 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
The InChIKey is DJJFNASQPGYBEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23ClN2O/c1-11-5-4-8-21(9-11)10-15-13(3)20-17-12(2)16(19)7-6-14(17)18(15)22/h6-7,11H,4-5,8-10H2,1-3H3,(H,20,22)/p+1.
What are the key properties of 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one has a molecular weight of 319.86 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 3368624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).