6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one

C33H30Cl2N2O4 — CID 126617687

IUPAC6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one
SMILESCOCCOCCOc1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C33H30Cl2N2O4/c1-39-16-17-40-18-19-41-28-13-11-27(12-14-28)36-31-21-32(38)37-30-15-6-24(20-29(30)31)33(22-2-7-25(34)8-3-22)23-4-9-26(35)10-5-23/h2-15,20-21,33H,16-19H2,1H3,(H2,36,37,38)
InChIKeyBVNLGEPDFRSYRR-UHFFFAOYSA-N
MW589.52 g/mol
LogP7.80
Rot. Bonds12

About 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one

6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one (PubChem CID 126617687) has the molecular formula C33H30Cl2N2O4 and a molecular weight of 589.52 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one
PubChem CID126617687
Molecular FormulaC33H30Cl2N2O4
Molecular Weight589.52 g/mol
Exact Mass588.16
IUPAC Name6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one
SMILESCOCCOCCOc1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C33H30Cl2N2O4/c1-39-16-17-40-18-19-41-28-13-11-27(12-14-28)36-31-21-32(38)37-30-15-6-24(20-29(30)31)33(22-2-7-25(34)8-3-22)23-4-9-26(35)10-5-23/h2-15,20-21,33H,16-19H2,1H3,(H2,36,37,38)
InChIKeyBVNLGEPDFRSYRR-UHFFFAOYSA-N
XLogP7.80
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.52
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide
CID 118323947
2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide
CID 118324045
6-[bis(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1H-quinolin-2-one
CID 118329978
6-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
CID 118323989
(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine
CID 101191094
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione
CID 170638975
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methanedithiol
CID 59102227
[4-[2-[2-[2-[2-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 139267927
4-(2,2-dimethylpropylamino)-6-methoxy-1H-quinolin-2-one
CID 22061201
1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
CID 89292471

Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one?
The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one (CID 126617687) is 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one.
What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one?
The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one is COCCOCCOc1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1.
What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one?
The InChIKey is BVNLGEPDFRSYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30Cl2N2O4/c1-39-16-17-40-18-19-41-28-13-11-27(12-14-28)36-31-21-32(38)37-30-15-6-24(20-29(30)31)33(22-2-7-25(34)8-3-22)23-4-9-26(35)10-5-23/h2-15,20-21,33H,16-19H2,1H3,(H2,36,37,38).
What are the key properties of 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one?
6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one has a molecular weight of 589.52 g/mol, XLogP of 7.80, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one is sourced from PubChem (CID 126617687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).