N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride

C17H27ClN4O2 — CID 119581710

IUPACN-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCNC(=O)N1CCc2ccccc2C1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-13(11-18)20(2)16(22)7-9-19-17(23)21-10-8-14-5-3-4-6-15(14)12-21;/h3-6,13H,7-12,18H2,1-2H3,(H,19,23);1H
InChIKeyFZBUYFRFAXCJND-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.37
Rot. Bonds5

About N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride

N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride (PubChem CID 119581710) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
PubChem CID119581710
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCNC(=O)N1CCc2ccccc2C1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-13(11-18)20(2)16(22)7-9-19-17(23)21-10-8-14-5-3-4-6-15(14)12-21;/h3-6,13H,7-12,18H2,1-2H3,(H,19,23);1H
InChIKeyFZBUYFRFAXCJND-UHFFFAOYSA-N
XLogP1.37
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989142
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
4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838164
N-(1-aminopropan-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpropanamide
CID 119583168
(2S)-2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoylamino]hexanoic acid
CID 120614459
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
ethyl 4-[[C-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]butanoate
CID 110946890
N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
CID 120651384
1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
CID 119349582
(2R)-2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoylamino]-3-phenylpropanoic acid
CID 119367184
N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride (CID 119581710) is N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride is CC(CN)N(C)C(=O)CCNC(=O)N1CCc2ccccc2C1.Cl.
What is the InChIKey of N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?
The InChIKey is FZBUYFRFAXCJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-13(11-18)20(2)16(22)7-9-19-17(23)21-10-8-14-5-3-4-6-15(14)12-21;/h3-6,13H,7-12,18H2,1-2H3,(H,19,23);1H.
What are the key properties of N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride?
N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride is sourced from PubChem (CID 119581710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).