N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide

C26H24Cl2N4O3 — CID 24831825

IUPACN-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4ccc(Cl)c(Cl)c4)cc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H24Cl2N4O3/c1-16(33)29-11-12-32-24-14-19(30-15-17-3-9-21(27)22(28)13-17)6-10-23(24)31-25(26(32)34)18-4-7-20(35-2)8-5-18/h3-10,13-14,30H,11-12,15H2,1-2H3,(H,29,33)
InChIKeyFPQQMWRUQKWZCF-UHFFFAOYSA-N
MW511.41 g/mol
LogP5.13
Rot. Bonds8

About N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide

N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide (PubChem CID 24831825) has the molecular formula C26H24Cl2N4O3 and a molecular weight of 511.41 g/mol. Its IUPAC name is N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide
PubChem CID24831825
Molecular FormulaC26H24Cl2N4O3
Molecular Weight511.41 g/mol
Exact Mass510.12
IUPAC NameN-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4ccc(Cl)c(Cl)c4)cc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H24Cl2N4O3/c1-16(33)29-11-12-32-24-14-19(30-15-17-3-9-21(27)22(28)13-17)6-10-23(24)31-25(26(32)34)18-4-7-20(35-2)8-5-18/h3-10,13-14,30H,11-12,15H2,1-2H3,(H,29,33)
InChIKeyFPQQMWRUQKWZCF-UHFFFAOYSA-N
XLogP5.13
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.41
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide (CID 24831825) is N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide is COc1ccc(-c2nc3ccc(NCc4ccc(Cl)c(Cl)c4)cc3n(CCNC(C)=O)c2=O)cc1.
What is the InChIKey of N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide?
The InChIKey is FPQQMWRUQKWZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O3/c1-16(33)29-11-12-32-24-14-19(30-15-17-3-9-21(27)22(28)13-17)6-10-23(24)31-25(26(32)34)18-4-7-20(35-2)8-5-18/h3-10,13-14,30H,11-12,15H2,1-2H3,(H,29,33).
What are the key properties of N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide?
N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide has a molecular weight of 511.41 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide is sourced from PubChem (CID 24831825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).