N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide

C23H25N3O — CID 121463126

IUPACN-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide
SMILESO=C(Nc1nc(CCCN2CCCC2)cc2ccccc12)c1ccccc1
InChIInChI=1S/C23H25N3O/c27-23(18-9-2-1-3-10-18)25-22-21-13-5-4-11-19(21)17-20(24-22)12-8-16-26-14-6-7-15-26/h1-5,9-11,13,17H,6-8,12,14-16H2,(H,24,25,27)
InChIKeyASZRNYIGTQIFJA-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.52
Rot. Bonds6

About N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide

N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide (PubChem CID 121463126) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide
PubChem CID121463126
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide
SMILESO=C(Nc1nc(CCCN2CCCC2)cc2ccccc12)c1ccccc1
InChIInChI=1S/C23H25N3O/c27-23(18-9-2-1-3-10-18)25-22-21-13-5-4-11-19(21)17-20(24-22)12-8-16-26-14-6-7-15-26/h1-5,9-11,13,17H,6-8,12,14-16H2,(H,24,25,27)
InChIKeyASZRNYIGTQIFJA-UHFFFAOYSA-N
XLogP4.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyrrolidin-1-ylethylamino)isoquinoline-3-carboxylic acid
CID 62641881
4-(2-isoquinolin-4-ylethynyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 134277119
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide
CID 146475702
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-(3-pyrrolidin-1-ylpropyl)naphthalen-1-ol
CID 15617933
1-(12-anthracen-9-yloxydodecyl)pyrrolidine
CID 21280882
N-[2-[[N'-[3-(azepan-1-yl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]benzamide
CID 111325160
1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110314409
N-[2,6-diethyl-7-(3-piperidin-1-ylpropylamino)-[1,3]oxazolo[4,5-b]pyridin-5-yl]benzamide
CID 162759663
(4-benzamidophenyl) 4-(3-pyridin-2-ylpropyl)piperazine-1-carboxylate
CID 57455945

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide?
The IUPAC name of N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide (CID 121463126) is N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide.
What is the SMILES notation for N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide?
The canonical SMILES for N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide is O=C(Nc1nc(CCCN2CCCC2)cc2ccccc12)c1ccccc1.
What is the InChIKey of N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide?
The InChIKey is ASZRNYIGTQIFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(18-9-2-1-3-10-18)25-22-21-13-5-4-11-19(21)17-20(24-22)12-8-16-26-14-6-7-15-26/h1-5,9-11,13,17H,6-8,12,14-16H2,(H,24,25,27).
What are the key properties of N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide?
N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide has a molecular weight of 359.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-yl]benzamide is sourced from PubChem (CID 121463126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).