3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one

C16H13ClN2O — CID 56666264

IUPAC3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one
SMILESCn1c(N)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C16H13ClN2O/c1-19-15(18)14(10-5-3-2-4-6-10)13-9-11(17)7-8-12(13)16(19)20/h2-9H,18H2,1H3
InChIKeyKYWYNOWXJCMYSF-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.44
Rot. Bonds1

About 3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one

3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one (PubChem CID 56666264) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one.

Molecular Properties

Compound Name3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one
PubChem CID56666264
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one
SMILESCn1c(N)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C16H13ClN2O/c1-19-15(18)14(10-5-3-2-4-6-10)13-9-11(17)7-8-12(13)16(19)20/h2-9H,18H2,1H3
InChIKeyKYWYNOWXJCMYSF-UHFFFAOYSA-N
XLogP3.44
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one?
The IUPAC name of 3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one (CID 56666264) is 3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one.
What is the SMILES notation for 3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one?
The canonical SMILES for 3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one is Cn1c(N)c(-c2ccccc2)c2cc(Cl)ccc2c1=O.
What is the InChIKey of 3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one?
The InChIKey is KYWYNOWXJCMYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-19-15(18)14(10-5-3-2-4-6-10)13-9-11(17)7-8-12(13)16(19)20/h2-9H,18H2,1H3.
What are the key properties of 3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one?
3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one has a molecular weight of 284.75 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-2-methyl-4-phenylisoquinolin-1-one is sourced from PubChem (CID 56666264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).