2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide

C23H27ClN2O3 — CID 86873659

IUPAC2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1cc2c(cc1OC)CN(CCNC(=O)C1CC1c1cccc(Cl)c1)CC2
InChIInChI=1S/C23H27ClN2O3/c1-28-21-11-15-6-8-26(14-17(15)12-22(21)29-2)9-7-25-23(27)20-13-19(20)16-4-3-5-18(24)10-16/h3-5,10-12,19-20H,6-9,13-14H2,1-2H3,(H,25,27)
InChIKeyLTDRQBUKLJSONL-UHFFFAOYSA-N
MW414.93 g/mol
LogP3.64
Rot. Bonds7

About 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 86873659) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID86873659
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1cc2c(cc1OC)CN(CCNC(=O)C1CC1c1cccc(Cl)c1)CC2
InChIInChI=1S/C23H27ClN2O3/c1-28-21-11-15-6-8-26(14-17(15)12-22(21)29-2)9-7-25-23(27)20-13-19(20)16-4-3-5-18(24)10-16/h3-5,10-12,19-20H,6-9,13-14H2,1-2H3,(H,25,27)
InChIKeyLTDRQBUKLJSONL-UHFFFAOYSA-N
XLogP3.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95055116
2-(5-chloro-2-methoxyphenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 87008728
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
CID 124689815
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119506444
N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide
CID 141275639
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl chloride
CID 142769161
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292771
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564729
trans-(1S,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564727
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564726
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 49159062

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide (CID 86873659) is 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide is COc1cc2c(cc1OC)CN(CCNC(=O)C1CC1c1cccc(Cl)c1)CC2.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is LTDRQBUKLJSONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-28-21-11-15-6-8-26(14-17(15)12-22(21)29-2)9-7-25-23(27)20-13-19(20)16-4-3-5-18(24)10-16/h3-5,10-12,19-20H,6-9,13-14H2,1-2H3,(H,25,27).
What are the key properties of 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 414.93 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86873659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).