3-(isoquinolin-1-ylamino)-N-propylbenzamide

C19H19N3O — CID 117091449

IUPAC3-(isoquinolin-1-ylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Nc2nccc3ccccc23)c1
InChIInChI=1S/C19H19N3O/c1-2-11-21-19(23)15-7-5-8-16(13-15)22-18-17-9-4-3-6-14(17)10-12-20-18/h3-10,12-13H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyBSNVDOJREYLHEO-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.12
Rot. Bonds5

About 3-(isoquinolin-1-ylamino)-N-propylbenzamide

3-(isoquinolin-1-ylamino)-N-propylbenzamide (PubChem CID 117091449) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(isoquinolin-1-ylamino)-N-propylbenzamide.

Molecular Properties

Compound Name3-(isoquinolin-1-ylamino)-N-propylbenzamide
PubChem CID117091449
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-(isoquinolin-1-ylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Nc2nccc3ccccc23)c1
InChIInChI=1S/C19H19N3O/c1-2-11-21-19(23)15-7-5-8-16(13-15)22-18-17-9-4-3-6-14(17)10-12-20-18/h3-10,12-13H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyBSNVDOJREYLHEO-UHFFFAOYSA-N
XLogP4.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(isoquinolin-1-ylamino)-N-propylbenzamide 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

3-(ethylamino)-N-propylbenzamide
CID 43676038
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
3-(quinazolin-4-ylamino)-N-[2-[2-[[3-(quinazolin-4-ylamino)benzoyl]amino]ethyldisulfanyl]ethyl]benzamide
CID 139015878
N-phenylisoquinolin-1-amine
CID 613037
3-(acridin-9-ylamino)-N-[2-[[3-(acridin-9-ylamino)benzoyl]amino]ethyl]benzamide
CID 5088765
N-phenylisoquinolin-1-amine;dihydrate
CID 51057780
N-(3-chlorophenyl)isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 56587846
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
CID 50826628
N-propylnaphthalene-2-carboxamide
CID 6624536
N-butyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780131
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
5-hydroxy-N-propylnaphthalene-2-carboxamide
CID 172677586

Frequently Asked Questions

What is the IUPAC name of 3-(isoquinolin-1-ylamino)-N-propylbenzamide?
The IUPAC name of 3-(isoquinolin-1-ylamino)-N-propylbenzamide (CID 117091449) is 3-(isoquinolin-1-ylamino)-N-propylbenzamide.
What is the SMILES notation for 3-(isoquinolin-1-ylamino)-N-propylbenzamide?
The canonical SMILES for 3-(isoquinolin-1-ylamino)-N-propylbenzamide is CCCNC(=O)c1cccc(Nc2nccc3ccccc23)c1.
What is the InChIKey of 3-(isoquinolin-1-ylamino)-N-propylbenzamide?
The InChIKey is BSNVDOJREYLHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-11-21-19(23)15-7-5-8-16(13-15)22-18-17-9-4-3-6-14(17)10-12-20-18/h3-10,12-13H,2,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(isoquinolin-1-ylamino)-N-propylbenzamide?
3-(isoquinolin-1-ylamino)-N-propylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(isoquinolin-1-ylamino)-N-propylbenzamide is sourced from PubChem (CID 117091449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).