N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide

C24H27N3O3 — CID 44779998

IUPACN-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
SMILESCOc1cccc(CN(CC2CCCO2)C(=O)c2ccc3nc(C)c(C)nc3c2)c1
InChIInChI=1S/C24H27N3O3/c1-16-17(2)26-23-13-19(9-10-22(23)25-16)24(28)27(15-21-8-5-11-30-21)14-18-6-4-7-20(12-18)29-3/h4,6-7,9-10,12-13,21H,5,8,11,14-15H2,1-3H3
InChIKeyMNNWKPSJGBNRQR-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.08
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide

N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 44779998) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
PubChem CID44779998
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
SMILESCOc1cccc(CN(CC2CCCO2)C(=O)c2ccc3nc(C)c(C)nc3c2)c1
InChIInChI=1S/C24H27N3O3/c1-16-17(2)26-23-13-19(9-10-22(23)25-16)24(28)27(15-21-8-5-11-30-21)14-18-6-4-7-20(12-18)29-3/h4,6-7,9-10,12-13,21H,5,8,11,14-15H2,1-3H3
InChIKeyMNNWKPSJGBNRQR-UHFFFAOYSA-N
XLogP4.08
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055429
[4-[[(3-methoxybenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate
CID 7482553
[4-[[(3-methoxybenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 3364306
4-ethoxy-N-[(3-methoxyphenyl)methyl]-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 48523603
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
N-[(3-methoxyphenyl)methyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1157396
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95050157
N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56540159

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide (CID 44779998) is N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide is COc1cccc(CN(CC2CCCO2)C(=O)c2ccc3nc(C)c(C)nc3c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is MNNWKPSJGBNRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-17(2)26-23-13-19(9-10-22(23)25-16)24(28)27(15-21-8-5-11-30-21)14-18-6-4-7-20(12-18)29-3/h4,6-7,9-10,12-13,21H,5,8,11,14-15H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide?
N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 44779998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).