N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride

C18H27ClN4O2 — CID 119510309

IUPACN-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)N1CCc2ccccc2C1)NCC1CCCN1
InChIInChI=1S/C18H26N4O2.ClH/c23-17(21-12-16-6-3-9-19-16)7-10-20-18(24)22-11-8-14-4-1-2-5-15(14)13-22;/h1-2,4-5,16,19H,3,6-13H2,(H,20,24)(H,21,23);1H
InChIKeyYZPZIIWPPVGJHL-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.43
Rot. Bonds5

About N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride

N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride (PubChem CID 119510309) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
PubChem CID119510309
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)N1CCc2ccccc2C1)NCC1CCCN1
InChIInChI=1S/C18H26N4O2.ClH/c23-17(21-12-16-6-3-9-19-16)7-10-20-18(24)22-11-8-14-4-1-2-5-15(14)13-22;/h1-2,4-5,16,19H,3,6-13H2,(H,20,24)(H,21,23);1H
InChIKeyYZPZIIWPPVGJHL-UHFFFAOYSA-N
XLogP1.43
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride 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

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-2-ylpropan-1-one
CID 62210843
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108888580
1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
CID 119349582
N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 119521756
(2S)-2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119360066
(2R)-2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoylamino]-3-phenylpropanoic acid
CID 119367184
N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride
CID 119514556
N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989142
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 104972706
N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
CID 79152562

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride (CID 119510309) is N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)N1CCc2ccccc2C1)NCC1CCCN1.
What is the InChIKey of N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?
The InChIKey is YZPZIIWPPVGJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c23-17(21-12-16-6-3-9-19-16)7-10-20-18(24)22-11-8-14-4-1-2-5-15(14)13-22;/h1-2,4-5,16,19H,3,6-13H2,(H,20,24)(H,21,23);1H.
What are the key properties of N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?
N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride is sourced from PubChem (CID 119510309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).