3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one

C12H13ClN2O — CID 84628658

IUPAC3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one
SMILESCc1c(CN)c(=O)[nH]c2c(C)c(Cl)ccc12
InChIInChI=1S/C12H13ClN2O/c1-6-8-3-4-10(13)7(2)11(8)15-12(16)9(6)5-14/h3-4H,5,14H2,1-2H3,(H,15,16)
InChIKeyLRWLSGFJGWEMQL-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.26
Rot. Bonds1

About 3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one

3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one (PubChem CID 84628658) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one
PubChem CID84628658
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one
SMILESCc1c(CN)c(=O)[nH]c2c(C)c(Cl)ccc12
InChIInChI=1S/C12H13ClN2O/c1-6-8-3-4-10(13)7(2)11(8)15-12(16)9(6)5-14/h3-4H,5,14H2,1-2H3,(H,15,16)
InChIKeyLRWLSGFJGWEMQL-UHFFFAOYSA-N
XLogP2.26
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 57283159
(2,6-dichloro-7-methyl-1H-indol-3-yl)methanol
CID 82269427
7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43668132
2-chloro-1-methyl-9H-carbazole
CID 154342995
7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 63376863
8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one
CID 141173285
4-(6-chloro-2,7-dimethyl-1H-indol-3-yl)butan-2-one
CID 82499106
4-[6-chloro-7-methyl-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5214084
1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
CID 82494396
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545
7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
CID 62891407
4-[6-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 5165758

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one (CID 84628658) is 3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one is Cc1c(CN)c(=O)[nH]c2c(C)c(Cl)ccc12.
What is the InChIKey of 3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one?
The InChIKey is LRWLSGFJGWEMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-6-8-3-4-10(13)7(2)11(8)15-12(16)9(6)5-14/h3-4H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one?
3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one has a molecular weight of 236.70 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-chloro-4,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 84628658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).