7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one

C14H15ClN2O2 — CID 91150157

IUPAC7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
SMILESCn1c(O)c2cc(Cl)c(NCC3CC3)cc2cc1=O
InChIInChI=1S/C14H15ClN2O2/c1-17-13(18)5-9-4-12(16-7-8-2-3-8)11(15)6-10(9)14(17)19/h4-6,8,16,19H,2-3,7H2,1H3
InChIKeyGNAROFIXDVHREK-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.72
Rot. Bonds3

About 7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one

7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one (PubChem CID 91150157) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one.

Molecular Properties

Compound Name7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
PubChem CID91150157
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
SMILESCn1c(O)c2cc(Cl)c(NCC3CC3)cc2cc1=O
InChIInChI=1S/C14H15ClN2O2/c1-17-13(18)5-9-4-12(16-7-8-2-3-8)11(15)6-10(9)14(17)19/h4-6,8,16,19H,2-3,7H2,1H3
InChIKeyGNAROFIXDVHREK-UHFFFAOYSA-N
XLogP2.72
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one
CID 90972402
6-(Cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91093639
1-Hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
CID 91259601
7-Chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
CID 91285978
6-(Cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91457658
6-(Ethylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91520534
7-chloro-1-hydroxy-6-(methylamino)-2H-isoquinolin-3-one
CID 123421193

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The IUPAC name of 7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one (CID 91150157) is 7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one.
What is the SMILES notation for 7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The canonical SMILES for 7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one is Cn1c(O)c2cc(Cl)c(NCC3CC3)cc2cc1=O.
What is the InChIKey of 7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The InChIKey is GNAROFIXDVHREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-17-13(18)5-9-4-12(16-7-8-2-3-8)11(15)6-10(9)14(17)19/h4-6,8,16,19H,2-3,7H2,1H3.
What are the key properties of 7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one has a molecular weight of 278.74 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one is sourced from PubChem (CID 91150157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).