5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide

C31H33N3O3 — CID 56857788

IUPAC5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2nc(-c3ccccc3C)c(CN(CC3CCCO3)C(=O)c3cc(C)c(C)[nH]c3=O)cc2c1
InChIInChI=1S/C31H33N3O3/c1-19-11-12-28-23(14-19)16-24(29(33-28)26-10-6-5-8-20(26)2)17-34(18-25-9-7-13-37-25)31(36)27-15-21(3)22(4)32-30(27)35/h5-6,8,10-12,14-16,25H,7,9,13,17-18H2,1-4H3,(H,32,35)
InChIKeyAVRIXBVUPUGOKT-UHFFFAOYSA-N
MW495.62 g/mol
LogP5.65
Rot. Bonds6

About 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide

5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 56857788) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID56857788
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC Name5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2nc(-c3ccccc3C)c(CN(CC3CCCO3)C(=O)c3cc(C)c(C)[nH]c3=O)cc2c1
InChIInChI=1S/C31H33N3O3/c1-19-11-12-28-23(14-19)16-24(29(33-28)26-10-6-5-8-20(26)2)17-34(18-25-9-7-13-37-25)31(36)27-15-21(3)22(4)32-30(27)35/h5-6,8,10-12,14-16,25H,7,9,13,17-18H2,1-4H3,(H,32,35)
InChIKeyAVRIXBVUPUGOKT-UHFFFAOYSA-N
XLogP5.65
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45210172
2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135888215
3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 666781
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077957
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1453773
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 23885556
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1077992
N-[(2-hydroxyphenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 60520041
4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077959
2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1445627
4-bromo-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25414652
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3151688

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide (CID 56857788) is 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide is Cc1ccc2nc(-c3ccccc3C)c(CN(CC3CCCO3)C(=O)c3cc(C)c(C)[nH]c3=O)cc2c1.
What is the InChIKey of 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is AVRIXBVUPUGOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c1-19-11-12-28-23(14-19)16-24(29(33-28)26-10-6-5-8-20(26)2)17-34(18-25-9-7-13-37-25)31(36)27-15-21(3)22(4)32-30(27)35/h5-6,8,10-12,14-16,25H,7,9,13,17-18H2,1-4H3,(H,32,35).
What are the key properties of 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 495.62 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56857788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).