1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide

C22H22N2O2 — CID 171645922

IUPAC1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide
SMILESCCc1ccc(Oc2ccnc3ccc(C4(C(N)=O)CC4)cc23)c(C)c1
InChIInChI=1S/C22H22N2O2/c1-3-15-4-7-19(14(2)12-15)26-20-8-11-24-18-6-5-16(13-17(18)20)22(9-10-22)21(23)25/h4-8,11-13H,3,9-10H2,1-2H3,(H2,23,25)
InChIKeyMEFMZIKOUMTAHH-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.41
Rot. Bonds5

About 1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide

1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide (PubChem CID 171645922) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide
PubChem CID171645922
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide
SMILESCCc1ccc(Oc2ccnc3ccc(C4(C(N)=O)CC4)cc23)c(C)c1
InChIInChI=1S/C22H22N2O2/c1-3-15-4-7-19(14(2)12-15)26-20-8-11-24-18-6-5-16(13-17(18)20)22(9-10-22)21(23)25/h4-8,11-13H,3,9-10H2,1-2H3,(H2,23,25)
InChIKeyMEFMZIKOUMTAHH-UHFFFAOYSA-N
XLogP4.41
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylphenoxy]quinolin-6-yl]cyclobutane-1-carboxamide
CID 171645405
5-(aminomethyl)-3-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]-1,3-oxazolidin-2-one
CID 171645852
CID 176994101
CID 176994101
4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 58272598
N-[(E)-1-amino-3-tert-butyliminoprop-1-en-2-yl]-2-[4-(6-ethylsulfonylquinolin-4-yl)oxy-3-methylphenyl]acetamide
CID 178094043
N-[(E)-1-amino-3-tert-butyliminoprop-1-en-2-yl]-2-[4-(6-tert-butylsulfanylquinolin-4-yl)oxy-3-methylphenyl]acetamide;ethane
CID 171645771
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
6-ethylquinoline-4-carboxylic acid
CID 83527113
(Z)-6-amino-5-(tert-butyliminomethyl)-1-[3-methyl-4-(6-propan-2-ylsulfonylquinolin-4-yl)oxyphenyl]hex-5-en-2-one
CID 171645719
4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide
CID 171645698
4-(6-aminoquinolin-4-yl)oxy-N-(4-ethyl-2-pyridinyl)benzamide
CID 121273481
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylphenoxy]quinoline-6-sulfinic acid
CID 178032240

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide (CID 171645922) is 1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide is CCc1ccc(Oc2ccnc3ccc(C4(C(N)=O)CC4)cc23)c(C)c1.
What is the InChIKey of 1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide?
The InChIKey is MEFMZIKOUMTAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-3-15-4-7-19(14(2)12-15)26-20-8-11-24-18-6-5-16(13-17(18)20)22(9-10-22)21(23)25/h4-8,11-13H,3,9-10H2,1-2H3,(H2,23,25).
What are the key properties of 1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide?
1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-2-methylphenoxy)quinolin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171645922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).