(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide

C22H20N2O2 — CID 163750186

IUPAC(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide
SMILESCc1cc(COc2ccc(/C=C3\C[C@@H]3C(N)=O)cc2)c2ccccc2n1
InChIInChI=1S/C22H20N2O2/c1-14-10-17(19-4-2-3-5-21(19)24-14)13-26-18-8-6-15(7-9-18)11-16-12-20(16)22(23)25/h2-11,20H,12-13H2,1H3,(H2,23,25)/b16-11+/t20-/m0/s1
InChIKeyLPIBUGNPQUHZEE-PRDNPTHXSA-N
MW344.41 g/mol
LogP4.01
Rot. Bonds5

About (1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide

(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide (PubChem CID 163750186) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide
PubChem CID163750186
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide
SMILESCc1cc(COc2ccc(/C=C3\C[C@@H]3C(N)=O)cc2)c2ccccc2n1
InChIInChI=1S/C22H20N2O2/c1-14-10-17(19-4-2-3-5-21(19)24-14)13-26-18-8-6-15(7-9-18)11-16-12-20(16)22(23)25/h2-11,20H,12-13H2,1H3,(H2,23,25)/b16-11+/t20-/m0/s1
InChIKeyLPIBUGNPQUHZEE-PRDNPTHXSA-N
XLogP4.01
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide?
The IUPAC name of (1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide (CID 163750186) is (1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide?
The canonical SMILES for (1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide is Cc1cc(COc2ccc(/C=C3\C[C@@H]3C(N)=O)cc2)c2ccccc2n1.
What is the InChIKey of (1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide?
The InChIKey is LPIBUGNPQUHZEE-PRDNPTHXSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14-10-17(19-4-2-3-5-21(19)24-14)13-26-18-8-6-15(7-9-18)11-16-12-20(16)22(23)25/h2-11,20H,12-13H2,1H3,(H2,23,25)/b16-11+/t20-/m0/s1.
What are the key properties of (1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide?
(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide is sourced from PubChem (CID 163750186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).