cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide

C22H22N2O2 — CID 95303794

IUPACcis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@@H]2C(=O)NCCc2cccc3cccnc23)cc1
InChIInChI=1S/C22H22N2O2/c1-26-18-9-7-15(8-10-18)19-14-20(19)22(25)24-13-11-17-5-2-4-16-6-3-12-23-21(16)17/h2-10,12,19-20H,11,13-14H2,1H3,(H,24,25)/t19-,20-/m0/s1
InChIKeyNWELSDMXUWRMSU-PMACEKPBSA-N
MW346.43 g/mol
LogP3.71
Rot. Bonds6

About cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide (PubChem CID 95303794) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide
PubChem CID95303794
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Namecis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@@H]2C(=O)NCCc2cccc3cccnc23)cc1
InChIInChI=1S/C22H22N2O2/c1-26-18-9-7-15(8-10-18)19-14-20(19)22(25)24-13-11-17-5-2-4-16-6-3-12-23-21(16)17/h2-10,12,19-20H,11,13-14H2,1H3,(H,24,25)/t19-,20-/m0/s1
InChIKeyNWELSDMXUWRMSU-PMACEKPBSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
CID 56534973
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
CID 134036124
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292258
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide
CID 78836646

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide (CID 95303794) is cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide is COc1ccc([C@@H]2C[C@@H]2C(=O)NCCc2cccc3cccnc23)cc1.
What is the InChIKey of cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is NWELSDMXUWRMSU-PMACEKPBSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-18-9-7-15(8-10-18)19-14-20(19)22(25)24-13-11-17-5-2-4-16-6-3-12-23-21(16)17/h2-10,12,19-20H,11,13-14H2,1H3,(H,24,25)/t19-,20-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95303794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).