N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride

C20H24ClN3O3 — CID 119616217

IUPACN-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1)C1CC1
InChIInChI=1S/C20H23N3O3.ClH/c21-11-16(13-7-8-13)22-19(24)17-10-14-4-1-2-5-15(14)12-23(17)20(25)18-6-3-9-26-18;/h1-6,9,13,16-17H,7-8,10-12,21H2,(H,22,24);1H
InChIKeyFZHXWTPCYRCCHD-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.12
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride (PubChem CID 119616217) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
PubChem CID119616217
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1)C1CC1
InChIInChI=1S/C20H23N3O3.ClH/c21-11-16(13-7-8-13)22-19(24)17-10-14-4-1-2-5-15(14)12-23(17)20(25)18-6-3-9-26-18;/h1-6,9,13,16-17H,7-8,10-12,21H2,(H,22,24);1H
InChIKeyFZHXWTPCYRCCHD-UHFFFAOYSA-N
XLogP2.12
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(3R)-N-benzhydryl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41114850
N-(3-aminopropyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119407689
N-(2-amino-1-cyclopropylethyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119617937
2-(furan-2-carbonyl)-N-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 111433428
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55700080
(3S)-2-(furan-2-carbonyl)-N-(4-methylcyclohexyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 30769303
(3S)-2-(furan-2-carbonyl)-N-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 100617306
N-(4-anilinophenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 46554451
2-(furan-2-carbonyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55610654
6-[[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid
CID 119220280
(3S)-N-[(2-fluorophenyl)methyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 30659374
N-[1-(2,4-difluorophenyl)ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 112763710

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride (CID 119616217) is N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride?
The InChIKey is FZHXWTPCYRCCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c21-11-16(13-7-8-13)22-19(24)17-10-14-4-1-2-5-15(14)12-23(17)20(25)18-6-3-9-26-18;/h1-6,9,13,16-17H,7-8,10-12,21H2,(H,22,24);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119616217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).