1-(propylamino)isoquinoline-3-carboxamide

C13H15N3O — CID 62167037

IUPAC1-(propylamino)isoquinoline-3-carboxamide
SMILESCCCNc1nc(C(N)=O)cc2ccccc12
InChIInChI=1S/C13H15N3O/c1-2-7-15-13-10-6-4-3-5-9(10)8-11(16-13)12(14)17/h3-6,8H,2,7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyKBQJXNFYPQNUPN-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.16
Rot. Bonds4

About 1-(propylamino)isoquinoline-3-carboxamide

1-(propylamino)isoquinoline-3-carboxamide (PubChem CID 62167037) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(propylamino)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(propylamino)isoquinoline-3-carboxamide
PubChem CID62167037
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(propylamino)isoquinoline-3-carboxamide
SMILESCCCNc1nc(C(N)=O)cc2ccccc12
InChIInChI=1S/C13H15N3O/c1-2-7-15-13-10-6-4-3-5-9(10)8-11(16-13)12(14)17/h3-6,8H,2,7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyKBQJXNFYPQNUPN-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(propylamino)isoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 55042554
N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 62171251
N-(2-methylpropyl)-1-(propylamino)isoquinoline-3-carboxamide
CID 62172724
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
1-[2-(2-amino-2-oxoethoxy)ethylamino]isoquinoline-3-carboxylic acid
CID 106237939
1-(ethylamino)-N-(3-methylsulfanylpropyl)isoquinoline-3-carboxamide
CID 63964008
1-(2-pyrrolidin-1-ylethylamino)isoquinoline-3-carboxylic acid
CID 62641881
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62337215
1-[(2-ethoxy-2-methylpropyl)amino]isoquinoline-3-carboxylic acid
CID 114942702
N-(2,2-difluoroethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 115408648
4-ethylquinoline-2-carboxamide
CID 174714299
N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 62173096

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)isoquinoline-3-carboxamide?
The IUPAC name of 1-(propylamino)isoquinoline-3-carboxamide (CID 62167037) is 1-(propylamino)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-(propylamino)isoquinoline-3-carboxamide?
The canonical SMILES for 1-(propylamino)isoquinoline-3-carboxamide is CCCNc1nc(C(N)=O)cc2ccccc12.
What is the InChIKey of 1-(propylamino)isoquinoline-3-carboxamide?
The InChIKey is KBQJXNFYPQNUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-7-15-13-10-6-4-3-5-9(10)8-11(16-13)12(14)17/h3-6,8H,2,7H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 1-(propylamino)isoquinoline-3-carboxamide?
1-(propylamino)isoquinoline-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)isoquinoline-3-carboxamide is sourced from PubChem (CID 62167037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).