6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide

C22H22N2O2 — CID 3830087

IUPAC6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)NCC3CCCO3)c2c1
InChIInChI=1S/C22H22N2O2/c1-15-9-10-20-18(12-15)19(22(25)23-14-17-8-5-11-26-17)13-21(24-20)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,23,25)
InChIKeyDYAWXBSPKHQLMT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.12
Rot. Bonds4

About 6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide

6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide (PubChem CID 3830087) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
PubChem CID3830087
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)NCC3CCCO3)c2c1
InChIInChI=1S/C22H22N2O2/c1-15-9-10-20-18(12-15)19(22(25)23-14-17-8-5-11-26-17)13-21(24-20)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,23,25)
InChIKeyDYAWXBSPKHQLMT-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

SB 222200
CID 6604009
Cabamiquine
CID 71748268
(s)-n-(1-Phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 1760285
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
SB 218795
CID 6604858
3-(4-Morpholin-4-yl-piperidin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide
CID 10370066
6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 71767101
N-(2-hydroxyethyl)-4-[(2,6,8-trimethylquinolin-4-yl)amino]benzamide
CID 1600362
N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2873539
N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 753478
N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide
CID 855960
N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide
CID 5002006

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide (CID 3830087) is 6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCC3CCCO3)c2c1.
What is the InChIKey of 6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is DYAWXBSPKHQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-9-10-20-18(12-15)19(22(25)23-14-17-8-5-11-26-17)13-21(24-20)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,23,25).
What are the key properties of 6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3830087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).