6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one

C10H11ClN2O — CID 146552750

IUPAC6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(N)c(Cl)cc2C1=O
InChIInChI=1S/C10H11ClN2O/c1-13-3-2-6-4-9(12)8(11)5-7(6)10(13)14/h4-5H,2-3,12H2,1H3
InChIKeyWHNNBKABLHTQAP-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.55
Rot. Bonds

About 6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one

6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 146552750) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID146552750
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(N)c(Cl)cc2C1=O
InChIInChI=1S/C10H11ClN2O/c1-13-3-2-6-4-9(12)8(11)5-7(6)10(13)14/h4-5H,2-3,12H2,1H3
InChIKeyWHNNBKABLHTQAP-UHFFFAOYSA-N
XLogP1.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one
CID 146552574
7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82399199
6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one
CID 129139598
3,6-dichloro-9H-fluorene-2,7-diamine
CID 67732913
6-chloro-2-methyl-1,3-dihydroisoindol-5-amine
CID 90105129
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
5-amino-2-methyl-3,4-dihydroisoquinolin-1-one
CID 14171272
2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one
CID 171522935
5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione
CID 22011266
6-chloro-2,3-dihydro-1H-inden-5-amine
CID 22400278
5-chloro-6-iodo-2-methyl-3H-isoindol-1-one
CID 146393625
1-[(3-amino-4-chlorophenyl)methyl]-4-methylpiperazine-2,3-dione
CID 62927376

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one (CID 146552750) is 6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one is CN1CCc2cc(N)c(Cl)cc2C1=O.
What is the InChIKey of 6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is WHNNBKABLHTQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-13-3-2-6-4-9(12)8(11)5-7(6)10(13)14/h4-5H,2-3,12H2,1H3.
What are the key properties of 6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one?
6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 210.66 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 146552750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).