N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide

C23H20N4O2 — CID 22425545

IUPACN-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(Nc3cnc4ccccc4n3)c2)c1
InChIInChI=1S/C23H20N4O2/c1-29-19-9-4-6-16(12-19)14-25-23(28)17-7-5-8-18(13-17)26-22-15-24-20-10-2-3-11-21(20)27-22/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyMVMXMNCTMOIOMW-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.31
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide

N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide (PubChem CID 22425545) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide
PubChem CID22425545
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(Nc3cnc4ccccc4n3)c2)c1
InChIInChI=1S/C23H20N4O2/c1-29-19-9-4-6-16(12-19)14-25-23(28)17-7-5-8-18(13-17)26-22-15-24-20-10-2-3-11-21(20)27-22/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyMVMXMNCTMOIOMW-UHFFFAOYSA-N
XLogP4.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 134057132
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-benzyl-3-(pyrazin-2-ylamino)benzamide
CID 117091377
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280308
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109159951
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide (CID 22425545) is N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide is COc1cccc(CNC(=O)c2cccc(Nc3cnc4ccccc4n3)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide?
The InChIKey is MVMXMNCTMOIOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-29-19-9-4-6-16(12-19)14-25-23(28)17-7-5-8-18(13-17)26-22-15-24-20-10-2-3-11-21(20)27-22/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide?
N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide is sourced from PubChem (CID 22425545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).