3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one

C13H15ClN2O2 — CID 84640262

IUPAC3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one
SMILESCOc1cc2c(C)c(CN)c(=O)n(C)c2cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-7-8-4-12(18-3)10(14)5-11(8)16(2)13(17)9(7)6-15/h4-5H,6,15H2,1-3H3
InChIKeySXZQWWGXQYVMEA-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.97
Rot. Bonds2

About 3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one

3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one (PubChem CID 84640262) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one
PubChem CID84640262
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one
SMILESCOc1cc2c(C)c(CN)c(=O)n(C)c2cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-7-8-4-12(18-3)10(14)5-11(8)16(2)13(17)9(7)6-15/h4-5H,6,15H2,1-3H3
InChIKeySXZQWWGXQYVMEA-UHFFFAOYSA-N
XLogP1.97
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
CID 84626906
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
CID 84638829
3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
CID 84622309
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498
3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine
CID 82501761
(E)-3-(6-chloro-5-methoxy-1,3-dimethylindol-2-yl)prop-2-enoic acid
CID 98035169
ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate
CID 143225852
2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid
CID 84642929
5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84743751
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348
5,6-dimethoxy-1,2,3-trimethylindole
CID 21049658
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one?
The IUPAC name of 3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one (CID 84640262) is 3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one is COc1cc2c(C)c(CN)c(=O)n(C)c2cc1Cl.
What is the InChIKey of 3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one?
The InChIKey is SXZQWWGXQYVMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-7-8-4-12(18-3)10(14)5-11(8)16(2)13(17)9(7)6-15/h4-5H,6,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one?
3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 84640262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).