[2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone

C58H58ClN3O8 — CID 87592843

IUPAC[2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
SMILESCCN(CC)CCCOc1cc2nccc(Oc3ccc(C)cc3C(=O)c3ccccc3)c2cc1OC.COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCCCl
InChIInChI=1S/C31H34N2O4.C27H24ClNO4/c1-5-33(6-2)17-10-18-36-30-21-26-24(20-29(30)35-4)28(15-16-32-26)37-27-14-13-22(3)19-25(27)31(34)23-11-8-7-9-12-23;1-18-9-10-23(21(15-18)27(30)19-7-4-3-5-8-19)33-24-11-13-29-22-17-26(32-14-6-12-28)25(31-2)16-20(22)24/h7-9,11-16,19-21H,5-6,10,17-18H2,1-4H3;3-5,7-11,13,15-17H,6,12,14H2,1-2H3
InChIKeyZEJKMEQNXOOSMY-UHFFFAOYSA-N
MW960.57 g/mol
LogP13.27
Rot. Bonds21

About [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone

[2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone (PubChem CID 87592843) has the molecular formula C58H58ClN3O8 and a molecular weight of 960.57 g/mol. Its IUPAC name is [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
PubChem CID87592843
Molecular FormulaC58H58ClN3O8
Molecular Weight960.57 g/mol
Exact Mass959.39
IUPAC Name[2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
SMILESCCN(CC)CCCOc1cc2nccc(Oc3ccc(C)cc3C(=O)c3ccccc3)c2cc1OC.COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCCCl
InChIInChI=1S/C31H34N2O4.C27H24ClNO4/c1-5-33(6-2)17-10-18-36-30-21-26-24(20-29(30)35-4)28(15-16-32-26)37-27-14-13-22(3)19-25(27)31(34)23-11-8-7-9-12-23;1-18-9-10-23(21(15-18)27(30)19-7-4-3-5-8-19)33-24-11-13-29-22-17-26(32-14-6-12-28)25(31-2)16-20(22)24/h7-9,11-16,19-21H,5-6,10,17-18H2,1-4H3;3-5,7-11,13,15-17H,6,12,14H2,1-2H3
InChIKeyZEJKMEQNXOOSMY-UHFFFAOYSA-N
XLogP13.27
TPSA118.54 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500960.57
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone 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

[2-[7-(4-chlorobutoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[6-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]quinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
CID 87591071
3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one
CID 86605180
[2-[7-(2-chloroethoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[6-methoxy-7-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
CID 87590964
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline
CID 23078503
1-N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-2-methylcyclopropane-1,1-dicarboxamide
CID 76617955
2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265062
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone
CID 22132797
ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate
CID 139803936
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587

Frequently Asked Questions

What is the IUPAC name of [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone?
The IUPAC name of [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone (CID 87592843) is [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone.
What is the SMILES notation for [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone?
The canonical SMILES for [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone is CCN(CC)CCCOc1cc2nccc(Oc3ccc(C)cc3C(=O)c3ccccc3)c2cc1OC.COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCCCl.
What is the InChIKey of [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone?
The InChIKey is ZEJKMEQNXOOSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O4.C27H24ClNO4/c1-5-33(6-2)17-10-18-36-30-21-26-24(20-29(30)35-4)28(15-16-32-26)37-27-14-13-22(3)19-25(27)31(34)23-11-8-7-9-12-23;1-18-9-10-23(21(15-18)27(30)19-7-4-3-5-8-19)33-24-11-13-29-22-17-26(32-14-6-12-28)25(31-2)16-20(22)24/h7-9,11-16,19-21H,5-6,10,17-18H2,1-4H3;3-5,7-11,13,15-17H,6,12,14H2,1-2H3.
What are the key properties of [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone?
[2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone has a molecular weight of 960.57 g/mol, XLogP of 13.27, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone is sourced from PubChem (CID 87592843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).