3-amino-2-pentylisoquinolin-1-one

C14H18N2O — CID 43162648

IUPAC3-amino-2-pentylisoquinolin-1-one
SMILESCCCCCn1c(N)cc2ccccc2c1=O
InChIInChI=1S/C14H18N2O/c1-2-3-6-9-16-13(15)10-11-7-4-5-8-12(11)14(16)17/h4-5,7-8,10H,2-3,6,9,15H2,1H3
InChIKeySATCGOAPMGIZAL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.77
Rot. Bonds4

About 3-amino-2-pentylisoquinolin-1-one

3-amino-2-pentylisoquinolin-1-one (PubChem CID 43162648) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-2-pentylisoquinolin-1-one.

Molecular Properties

Compound Name3-amino-2-pentylisoquinolin-1-one
PubChem CID43162648
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-amino-2-pentylisoquinolin-1-one
SMILESCCCCCn1c(N)cc2ccccc2c1=O
InChIInChI=1S/C14H18N2O/c1-2-3-6-9-16-13(15)10-11-7-4-5-8-12(11)14(16)17/h4-5,7-8,10H,2-3,6,9,15H2,1H3
InChIKeySATCGOAPMGIZAL-UHFFFAOYSA-N
XLogP2.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one
CID 43341001
2-(3-amino-1-oxoisoquinolin-2-yl)ethyl carbamate
CID 83203935
1-hydroxy-2-pentylisoquinolin-3-one
CID 90765326
3-amino-2-hexan-2-ylisoquinolin-1-one
CID 55049824
2-amino-3-butylquinazolin-4-one
CID 71653207
3-amino-2-[(3-methylphenyl)methyl]isoquinolin-1-one
CID 60902327
4,11-diamino-2-tridecylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
CID 122535931
2-ethyl-3-pentylquinazolin-4-one
CID 529110
3-amino-2-[(2-bromophenyl)methyl]isoquinolin-1-one
CID 61414104
4,11-diamino-2-octadecylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
CID 22008094
3-phenyl-2-propylisoquinolin-1-one
CID 102338692
6-dodecyl-2-[2-(6-dodecyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 122674536

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-pentylisoquinolin-1-one?
The IUPAC name of 3-amino-2-pentylisoquinolin-1-one (CID 43162648) is 3-amino-2-pentylisoquinolin-1-one.
What is the SMILES notation for 3-amino-2-pentylisoquinolin-1-one?
The canonical SMILES for 3-amino-2-pentylisoquinolin-1-one is CCCCCn1c(N)cc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-pentylisoquinolin-1-one?
The InChIKey is SATCGOAPMGIZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-6-9-16-13(15)10-11-7-4-5-8-12(11)14(16)17/h4-5,7-8,10H,2-3,6,9,15H2,1H3.
What are the key properties of 3-amino-2-pentylisoquinolin-1-one?
3-amino-2-pentylisoquinolin-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-pentylisoquinolin-1-one is sourced from PubChem (CID 43162648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).