N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine

C22H23ClN2O2 — CID 56855604

IUPACN-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine
SMILESCc1ccc2nc(OCc3ccccc3Cl)c(CNC3CCOC3)cc2c1
InChIInChI=1S/C22H23ClN2O2/c1-15-6-7-21-17(10-15)11-18(12-24-19-8-9-26-14-19)22(25-21)27-13-16-4-2-3-5-20(16)23/h2-7,10-11,19,24H,8-9,12-14H2,1H3
InChIKeyZQAFMNFHLVKYAI-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.65
Rot. Bonds6

About N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine

N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine (PubChem CID 56855604) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine
PubChem CID56855604
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine
SMILESCc1ccc2nc(OCc3ccccc3Cl)c(CNC3CCOC3)cc2c1
InChIInChI=1S/C22H23ClN2O2/c1-15-6-7-21-17(10-15)11-18(12-24-19-8-9-26-14-19)22(25-21)27-13-16-4-2-3-5-20(16)23/h2-7,10-11,19,24H,8-9,12-14H2,1H3
InChIKeyZQAFMNFHLVKYAI-UHFFFAOYSA-N
XLogP4.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine (CID 56855604) is N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine is Cc1ccc2nc(OCc3ccccc3Cl)c(CNC3CCOC3)cc2c1.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine?
The InChIKey is ZQAFMNFHLVKYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-15-6-7-21-17(10-15)11-18(12-24-19-8-9-26-14-19)22(25-21)27-13-16-4-2-3-5-20(16)23/h2-7,10-11,19,24H,8-9,12-14H2,1H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine?
N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine has a molecular weight of 382.89 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 56855604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).