4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide

C27H27N3O2 — CID 46324693

IUPAC4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1nc2ccccc2n(Cc2ccc(C(=O)NC(C)CCc3ccccc3)cc2)c1=O
InChIInChI=1S/C27H27N3O2/c1-19(12-13-21-8-4-3-5-9-21)28-26(31)23-16-14-22(15-17-23)18-30-25-11-7-6-10-24(25)29-20(2)27(30)32/h3-11,14-17,19H,12-13,18H2,1-2H3,(H,28,31)
InChIKeyIGRAVNXQLOANIZ-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.50
Rot. Bonds7

About 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide

4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 46324693) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
PubChem CID46324693
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1nc2ccccc2n(Cc2ccc(C(=O)NC(C)CCc3ccccc3)cc2)c1=O
InChIInChI=1S/C27H27N3O2/c1-19(12-13-21-8-4-3-5-9-21)28-26(31)23-16-14-22(15-17-23)18-30-25-11-7-6-10-24(25)29-20(2)27(30)32/h3-11,14-17,19H,12-13,18H2,1-2H3,(H,28,31)
InChIKeyIGRAVNXQLOANIZ-UHFFFAOYSA-N
XLogP4.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 92869667
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide
CID 46324669
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide
CID 92869678
4-[(2-benzylbenzimidazol-1-yl)methyl]-N-[(2S)-butan-2-yl]benzamide
CID 94013681
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide (CID 46324693) is 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide is Cc1nc2ccccc2n(Cc2ccc(C(=O)NC(C)CCc3ccccc3)cc2)c1=O.
What is the InChIKey of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is IGRAVNXQLOANIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-19(12-13-21-8-4-3-5-9-21)28-26(31)23-16-14-22(15-17-23)18-30-25-11-7-6-10-24(25)29-20(2)27(30)32/h3-11,14-17,19H,12-13,18H2,1-2H3,(H,28,31).
What are the key properties of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 46324693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).