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

C30H29Cl2N3O3 — CID 46940932

IUPAC2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
SMILESCN(C(=O)Cn1c(=O)ccc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H29Cl2N3O3/c1-33(30(37)20-35-27-18-26(32)25(31)17-24(27)11-12-29(35)36)28(19-34-13-15-38-16-14-34)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-12,17-18,28H,13-16,19-20H2,1H3
InChIKeyHCBICCCOFJFLGO-UHFFFAOYSA-N
MW550.49 g/mol
LogP5.51
Rot. Bonds7

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

2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide (PubChem CID 46940932) has the molecular formula C30H29Cl2N3O3 and a molecular weight of 550.49 g/mol. Its IUPAC name is 2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
PubChem CID46940932
Molecular FormulaC30H29Cl2N3O3
Molecular Weight550.49 g/mol
Exact Mass549.16
IUPAC Name2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
SMILESCN(C(=O)Cn1c(=O)ccc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H29Cl2N3O3/c1-33(30(37)20-35-27-18-26(32)25(31)17-24(27)11-12-29(35)36)28(19-34-13-15-38-16-14-34)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-12,17-18,28H,13-16,19-20H2,1H3
InChIKeyHCBICCCOFJFLGO-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

Analyze 2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
The IUPAC name of 2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide (CID 46940932) is 2-(6,7-dichloro-2-oxoquinolin-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-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide is CN(C(=O)Cn1c(=O)ccc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
The InChIKey is HCBICCCOFJFLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N3O3/c1-33(30(37)20-35-27-18-26(32)25(31)17-24(27)11-12-29(35)36)28(19-34-13-15-38-16-14-34)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-12,17-18,28H,13-16,19-20H2,1H3.
What are the key properties of 2-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide?
2-(6,7-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-(6,7-dichloro-2-oxoquinolin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 46940932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).