N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide

C26H24ClN3O2 — CID 4095118

IUPACN-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide
SMILESCc1ccc(Cn2c(=O)c(CCC(=O)NCc3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C26H24ClN3O2/c1-18-10-12-19(13-11-18)17-30-24-9-5-4-8-22(24)29-23(26(30)32)14-15-25(31)28-16-20-6-2-3-7-21(20)27/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeyXFZWLUBXFUYXCB-UHFFFAOYSA-N
MW445.95 g/mol
LogP4.66
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide (PubChem CID 4095118) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide
PubChem CID4095118
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide
SMILESCc1ccc(Cn2c(=O)c(CCC(=O)NCc3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C26H24ClN3O2/c1-18-10-12-19(13-11-18)17-30-24-9-5-4-8-22(24)29-23(26(30)32)14-15-25(31)28-16-20-6-2-3-7-21(20)27/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeyXFZWLUBXFUYXCB-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979272
ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate
CID 4640836
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
3-[4-[(2-chloro-6-fluorophenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(2-phenylethyl)propanamide
CID 122176425
N-benzyl-3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833138
3-[4-[2-[(2-bromophenyl)methylamino]-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129366
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
N-ethyl-3-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53129237
3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129394
N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide
CID 53159171
N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325099
N-[(2-chlorophenyl)methyl]-2-[2-ethyl-6-[(4-methylphenyl)methyl]-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 20937376

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide (CID 4095118) is N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide is Cc1ccc(Cn2c(=O)c(CCC(=O)NCc3ccccc3Cl)nc3ccccc32)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide?
The InChIKey is XFZWLUBXFUYXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-18-10-12-19(13-11-18)17-30-24-9-5-4-8-22(24)29-23(26(30)32)14-15-25(31)28-16-20-6-2-3-7-21(20)27/h2-13H,14-17H2,1H3,(H,28,31).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide has a molecular weight of 445.95 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide is sourced from PubChem (CID 4095118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).