N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide

C23H24N2O2 — CID 162637946

IUPACN-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide
SMILESCc1ccc2c(-c3ccc(C(=O)N(C)CC4(C)COC4)cc3)cccc2n1
InChIInChI=1S/C23H24N2O2/c1-16-7-12-20-19(5-4-6-21(20)24-16)17-8-10-18(11-9-17)22(26)25(3)13-23(2)14-27-15-23/h4-12H,13-15H2,1-3H3
InChIKeyDCHRPROSGBAXEG-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.32
Rot. Bonds4

About N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide

N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide (PubChem CID 162637946) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide
PubChem CID162637946
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide
SMILESCc1ccc2c(-c3ccc(C(=O)N(C)CC4(C)COC4)cc3)cccc2n1
InChIInChI=1S/C23H24N2O2/c1-16-7-12-20-19(5-4-6-21(20)24-16)17-8-10-18(11-9-17)22(26)25(3)13-23(2)14-27-15-23/h4-12H,13-15H2,1-3H3
InChIKeyDCHRPROSGBAXEG-UHFFFAOYSA-N
XLogP4.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide?
The IUPAC name of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide (CID 162637946) is N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide?
The canonical SMILES for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide is Cc1ccc2c(-c3ccc(C(=O)N(C)CC4(C)COC4)cc3)cccc2n1.
What is the InChIKey of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide?
The InChIKey is DCHRPROSGBAXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16-7-12-20-19(5-4-6-21(20)24-16)17-8-10-18(11-9-17)22(26)25(3)13-23(2)14-27-15-23/h4-12H,13-15H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide?
N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 162637946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).