3-(propylamino)-2H-isoquinolin-1-one

C12H14N2O — CID 60922442

IUPAC3-(propylamino)-2H-isoquinolin-1-one
SMILESCCCNc1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H14N2O/c1-2-7-13-11-8-9-5-3-4-6-10(9)12(15)14-11/h3-6,8H,2,7H2,1H3,(H2,13,14,15)
InChIKeyGTLRXQWZSRYOHG-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.35
Rot. Bonds3

About 3-(propylamino)-2H-isoquinolin-1-one

3-(propylamino)-2H-isoquinolin-1-one (PubChem CID 60922442) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(propylamino)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(propylamino)-2H-isoquinolin-1-one
PubChem CID60922442
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(propylamino)-2H-isoquinolin-1-one
SMILESCCCNc1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H14N2O/c1-2-7-13-11-8-9-5-3-4-6-10(9)12(15)14-11/h3-6,8H,2,7H2,1H3,(H2,13,14,15)
InChIKeyGTLRXQWZSRYOHG-UHFFFAOYSA-N
XLogP2.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylbutylamino)-2H-isoquinolin-1-one
CID 54939442
3-(3-propoxypropylamino)-2H-isoquinolin-1-one
CID 82944648
3-[2-(trifluoromethylsulfanyl)ethylamino]-2H-isoquinolin-1-one
CID 106431189
3-(2-pyrrolidin-1-ylethylamino)-2H-isoquinolin-1-one
CID 62642560
3-(hex-5-ynylamino)-2H-isoquinolin-1-one
CID 114159174
3-[(1-methylcyclopropyl)methylamino]-2H-isoquinolin-1-one
CID 114100793
3-[(4-hydroxy-2,2-dimethylbutyl)amino]-2H-isoquinolin-1-one
CID 106144792
3-[(4-methoxyphenyl)methylamino]-2H-isoquinolin-1-one
CID 16727391
3-(3-ethylpentan-2-ylamino)-2H-isoquinolin-1-one
CID 55260767
3-(2-methylpentan-3-ylamino)-2H-isoquinolin-1-one
CID 54954419
3-methoxy-4-[(1-oxo-2H-isoquinolin-3-yl)amino]butanoic acid
CID 103153725
N-cyclopropyl-3-[(1-oxo-2H-isoquinolin-3-yl)amino]propanamide
CID 79394641

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-2H-isoquinolin-1-one?
The IUPAC name of 3-(propylamino)-2H-isoquinolin-1-one (CID 60922442) is 3-(propylamino)-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(propylamino)-2H-isoquinolin-1-one?
The canonical SMILES for 3-(propylamino)-2H-isoquinolin-1-one is CCCNc1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of 3-(propylamino)-2H-isoquinolin-1-one?
The InChIKey is GTLRXQWZSRYOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-7-13-11-8-9-5-3-4-6-10(9)12(15)14-11/h3-6,8H,2,7H2,1H3,(H2,13,14,15).
What are the key properties of 3-(propylamino)-2H-isoquinolin-1-one?
3-(propylamino)-2H-isoquinolin-1-one has a molecular weight of 202.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-2H-isoquinolin-1-one is sourced from PubChem (CID 60922442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).