N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide

C18H17N3O2 — CID 2539011

IUPACN-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc3nccnc3c2)c1
InChIInChI=1S/C18H17N3O2/c1-21(12-13-4-3-5-15(10-13)23-2)18(22)14-6-7-16-17(11-14)20-9-8-19-16/h3-11H,12H2,1-2H3
InChIKeyCMXGTPOILQZXDJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.91
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide

N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide (PubChem CID 2539011) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide
PubChem CID2539011
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc3nccnc3c2)c1
InChIInChI=1S/C18H17N3O2/c1-21(12-13-4-3-5-15(10-13)23-2)18(22)14-6-7-16-17(11-14)20-9-8-19-16/h3-11H,12H2,1-2H3
InChIKeyCMXGTPOILQZXDJ-UHFFFAOYSA-N
XLogP2.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
3-(4-Methoxyphenyl)quinoxaline-5-carboxamide
CID 9965481
3,5-dimethoxy-N-(8-quinolinyl)benzamide
CID 835394
2-methoxy-N-quinolin-8-ylbenzamide
CID 836519
5-[(3-Isobutoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571868
N-[2-[(2S)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164616722
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546
4-methoxy-N-{4-[(3-pyridinylamino)carbonyl]phenyl}benzamide
CID 972486
N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide
CID 2226431
(2-Methoxyphenyl)[1-(5-quinoxalinylmethyl)-3-piperidinyl]methanone
CID 16189897
N-(6-methoxypyridin-3-yl)-3-phenoxybenzamide
CID 16295584
4-methoxy-N-(6-methoxyquinolin-8-yl)benzamide
CID 877405

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide (CID 2539011) is N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide is COc1cccc(CN(C)C(=O)c2ccc3nccnc3c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide?
The InChIKey is CMXGTPOILQZXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(12-13-4-3-5-15(10-13)23-2)18(22)14-6-7-16-17(11-14)20-9-8-19-16/h3-11H,12H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide is sourced from PubChem (CID 2539011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).