4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one

C10H9ClN2O — CID 84676451

IUPAC4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one
SMILESCc1[nH]c(=O)c2ccc(Cl)cc2c1N
InChIInChI=1S/C10H9ClN2O/c1-5-9(12)8-4-6(11)2-3-7(8)10(14)13-5/h2-4H,12H2,1H3,(H,13,14)
InChIKeyXDILKCGWMBGJED-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.07
Rot. Bonds

About 4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one

4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one (PubChem CID 84676451) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one
PubChem CID84676451
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one
SMILESCc1[nH]c(=O)c2ccc(Cl)cc2c1N
InChIInChI=1S/C10H9ClN2O/c1-5-9(12)8-4-6(11)2-3-7(8)10(14)13-5/h2-4H,12H2,1H3,(H,13,14)
InChIKeyXDILKCGWMBGJED-UHFFFAOYSA-N
XLogP2.07
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloronaphthalene-1,4-diamine
CID 21424529
6-amino-3,4-dimethyl-2H-isoquinolin-1-one
CID 175921906
8-chloro-1-methyl-4H-triazolo[4,5-c]isoquinolin-5-one
CID 166547972
7-chloro-3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-2H-isoquinolin-1-one
CID 11687701
3-amino-6-chloro-4-[2-(dimethylamino)acetyl]-2H-isoquinolin-1-one
CID 10356281
6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
CID 114517589
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
4-amino-3,5-dimethyl-2H-isoquinolin-1-one
CID 84661457
6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one
CID 143957657
2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 67808042
4-tert-butyl-6-chloro-2H-isoquinolin-1-one
CID 115063242
3-(aminomethyl)-6-chloro-2H-isoquinolin-1-one
CID 84621191

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one?
The IUPAC name of 4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one (CID 84676451) is 4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one is Cc1[nH]c(=O)c2ccc(Cl)cc2c1N.
What is the InChIKey of 4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one?
The InChIKey is XDILKCGWMBGJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-5-9(12)8-4-6(11)2-3-7(8)10(14)13-5/h2-4H,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one?
4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one has a molecular weight of 208.65 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 84676451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).