2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide

C30H29Cl2N3O3 — CID 46940838

IUPAC2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
SMILESCN(C(=O)Cn1c(=O)ccc2c(Cl)c(Cl)ccc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H29Cl2N3O3/c1-33(29(37)20-35-26-13-12-25(31)30(32)24(26)11-14-28(35)36)27(19-34-15-17-38-18-16-34)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-14,27H,15-20H2,1H3
InChIKeyVTTSBEVVBMIYQD-UHFFFAOYSA-N
MW550.49 g/mol
LogP5.51
Rot. Bonds7

About 2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide

2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide (PubChem CID 46940838) has the molecular formula C30H29Cl2N3O3 and a molecular weight of 550.49 g/mol. Its IUPAC name is 2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
PubChem CID46940838
Molecular FormulaC30H29Cl2N3O3
Molecular Weight550.49 g/mol
Exact Mass549.16
IUPAC Name2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
SMILESCN(C(=O)Cn1c(=O)ccc2c(Cl)c(Cl)ccc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H29Cl2N3O3/c1-33(29(37)20-35-26-13-12-25(31)30(32)24(26)11-14-28(35)36)27(19-34-15-17-38-18-16-34)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-14,27H,15-20H2,1H3
InChIKeyVTTSBEVVBMIYQD-UHFFFAOYSA-N
XLogP5.51
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.49
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
The IUPAC name of 2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide (CID 46940838) is 2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide is CN(C(=O)Cn1c(=O)ccc2c(Cl)c(Cl)ccc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
The InChIKey is VTTSBEVVBMIYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N3O3/c1-33(29(37)20-35-26-13-12-25(31)30(32)24(26)11-14-28(35)36)27(19-34-15-17-38-18-16-34)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-14,27H,15-20H2,1H3.
What are the key properties of 2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide has a molecular weight of 550.49 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 46940838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).