3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C24H26N2O4 — CID 666781

IUPAC3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC2CCCO2)c1
InChIInChI=1S/C24H26N2O4/c1-16-8-9-22-18(11-16)12-19(23(27)25-22)14-26(15-21-7-4-10-30-21)24(28)17-5-3-6-20(13-17)29-2/h3,5-6,8-9,11-13,21H,4,7,10,14-15H2,1-2H3,(H,25,27)
InChIKeyQPSXIPASAFDYPP-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.67
Rot. Bonds6

About 3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 666781) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID666781
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC2CCCO2)c1
InChIInChI=1S/C24H26N2O4/c1-16-8-9-22-18(11-16)12-19(23(27)25-22)14-26(15-21-7-4-10-30-21)24(28)17-5-3-6-20(13-17)29-2/h3,5-6,8-9,11-13,21H,4,7,10,14-15H2,1-2H3,(H,25,27)
InChIKeyQPSXIPASAFDYPP-UHFFFAOYSA-N
XLogP3.67
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077957
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1077992
3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3151701
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1374732
1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea
CID 3173854
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
3-ethyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 3172332
4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077959
3-(2-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1374717
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168870
4-bromo-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25414652
N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3214370

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 666781) is 3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC2CCCO2)c1.
What is the InChIKey of 3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is QPSXIPASAFDYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-8-9-22-18(11-16)12-19(23(27)25-22)14-26(15-21-7-4-10-30-21)24(28)17-5-3-6-20(13-17)29-2/h3,5-6,8-9,11-13,21H,4,7,10,14-15H2,1-2H3,(H,25,27).
What are the key properties of 3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 406.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 666781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).