1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide

C22H22N2O2 — CID 67562723

IUPAC1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
SMILESCc1cc(COc2ccc(CC3(C(N)=O)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C22H22N2O2/c1-15-12-17(19-4-2-3-5-20(19)24-15)14-26-18-8-6-16(7-9-18)13-22(10-11-22)21(23)25/h2-9,12H,10-11,13-14H2,1H3,(H2,23,25)
InChIKeyAEHOOJMVKFKOJS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.93
Rot. Bonds6

About 1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide

1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 67562723) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID67562723
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
SMILESCc1cc(COc2ccc(CC3(C(N)=O)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C22H22N2O2/c1-15-12-17(19-4-2-3-5-20(19)24-15)14-26-18-8-6-16(7-9-18)13-22(10-11-22)21(23)25/h2-9,12H,10-11,13-14H2,1H3,(H2,23,25)
InChIKeyAEHOOJMVKFKOJS-UHFFFAOYSA-N
XLogP3.93
TPSA65.21 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
methyl (1R)-3-(hydroxycarbamoyl)-2,2-dimethyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978639
trans-ethyl (1S,2S)-2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]oxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 142258756
[(1S,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(pyrrolidine-1-carbonyl)cyclopropanecarbonyl]azanium
CID 142258946
2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 20748602
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide
CID 163750186
cis-(1R,2S)-1-N-tert-butyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 59978422
ethyl (1R)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978370
CID 169428294
CID 169428294

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide (CID 67562723) is 1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide is Cc1cc(COc2ccc(CC3(C(N)=O)CC3)cc2)c2ccccc2n1.
What is the InChIKey of 1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is AEHOOJMVKFKOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-12-17(19-4-2-3-5-20(19)24-15)14-26-18-8-6-16(7-9-18)13-22(10-11-22)21(23)25/h2-9,12H,10-11,13-14H2,1H3,(H2,23,25).
What are the key properties of 1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67562723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).