2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide

C29H28Cl2N4O3 — CID 46940931

IUPAC2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
SMILESCN(C(=O)Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H28Cl2N4O3/c1-33(29(37)19-35-26-16-24(31)23(30)15-25(26)32-17-28(35)36)27(18-34-11-13-38-14-12-34)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,15-17,27H,11-14,18-19H2,1H3
InChIKeyTUVJDKQSMWJWFQ-UHFFFAOYSA-N
MW551.47 g/mol
LogP4.90
Rot. Bonds7

About 2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide

2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide (PubChem CID 46940931) has the molecular formula C29H28Cl2N4O3 and a molecular weight of 551.47 g/mol. Its IUPAC name is 2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
PubChem CID46940931
Molecular FormulaC29H28Cl2N4O3
Molecular Weight551.47 g/mol
Exact Mass550.15
IUPAC Name2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
SMILESCN(C(=O)Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H28Cl2N4O3/c1-33(29(37)19-35-26-16-24(31)23(30)15-25(26)32-17-28(35)36)27(18-34-11-13-38-14-12-34)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,15-17,27H,11-14,18-19H2,1H3
InChIKeyTUVJDKQSMWJWFQ-UHFFFAOYSA-N
XLogP4.90
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-Dichloro-1-[2-oxo-2-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]quinoxalin-2-one
CID 44449053
1(2H)-Quinoxalineacetamide, 6,7-dichloro-N-methyl-N-[1-[3'-[(methylamino)carbonyl][1,1'-biphenyl]-4-yl]-2-(4-morpholinyl)ethyl]-2-oxo-
CID 24863522
N-(1-Biphenyl-4-yl-2-morpholin-4-yl-ethyl)-2-[(3,4-dichloro-phenyl)-methyl-amino]-N-methyl-acetamide
CID 44561195
2-(3,4-dichloro-N-methylanilino)-1-[2-(morpholin-4-ylmethyl)-3-phenylpiperidin-1-yl]ethanone
CID 44448772
6,7-Dichloro-1-[2-[2-(morpholin-4-ylmethyl)-3-phenylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 44449052
2-[3,4-dichloro-N-(2-methoxyethyl)anilino]-1-[2-(morpholin-4-ylmethyl)-3-phenylpiperidin-1-yl]ethanone
CID 44449136
2-[3,4-dichloro-N-(2-methoxyethyl)anilino]-1-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 44449171
2-(3,4-dichloro-N-[2-[2-(morpholin-4-ylmethyl)-3-phenylpiperidin-1-yl]-2-oxoethyl]anilino)acetonitrile
CID 44449202
2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
CID 46940838
2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 46940840
2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
CID 46940932
2-(3,4-dichloro-N-[2-[[1-[4-(3-cyanophenyl)phenyl]-2-morpholin-4-ylethyl]-methylamino]-2-oxoethyl]anilino)acetamide
CID 46940937

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
The IUPAC name of 2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide (CID 46940931) is 2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide is CN(C(=O)Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
The InChIKey is TUVJDKQSMWJWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O3/c1-33(29(37)19-35-26-16-24(31)23(30)15-25(26)32-17-28(35)36)27(18-34-11-13-38-14-12-34)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,15-17,27H,11-14,18-19H2,1H3.
What are the key properties of 2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide has a molecular weight of 551.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 46940931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).