2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol

C31H36ClN3O5 — CID 142235213

IUPAC2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol
SMILESCOc1cc2c(Oc3ccc(Nc4ccc(C(C)C)cc4)cc3Cl)ccnc2cc1OCCN(CCO)CCO
InChIInChI=1S/C31H36ClN3O5/c1-21(2)22-4-6-23(7-5-22)34-24-8-9-29(26(32)18-24)40-28-10-11-33-27-20-31(30(38-3)19-25(27)28)39-17-14-35(12-15-36)13-16-37/h4-11,18-21,34,36-37H,12-17H2,1-3H3
InChIKeyOWQYKGXTLVEDLN-UHFFFAOYSA-N
MW566.10 g/mol
LogP6.22
Rot. Bonds14

About 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol

2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 142235213) has the molecular formula C31H36ClN3O5 and a molecular weight of 566.10 g/mol. Its IUPAC name is 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID142235213
Molecular FormulaC31H36ClN3O5
Molecular Weight566.10 g/mol
Exact Mass565.23
IUPAC Name2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol
SMILESCOc1cc2c(Oc3ccc(Nc4ccc(C(C)C)cc4)cc3Cl)ccnc2cc1OCCN(CCO)CCO
InChIInChI=1S/C31H36ClN3O5/c1-21(2)22-4-6-23(7-5-22)34-24-8-9-29(26(32)18-24)40-28-10-11-33-27-20-31(30(38-3)19-25(27)28)39-17-14-35(12-15-36)13-16-37/h4-11,18-21,34,36-37H,12-17H2,1-3H3
InChIKeyOWQYKGXTLVEDLN-UHFFFAOYSA-N
XLogP6.22
TPSA96.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.10
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol with MolForge

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Related Compounds

N-[4-[7-[3-(3,5-dimethylpiperidin-1-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-4-propan-2-ylaniline;ethane
CID 142235056
2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol
CID 21424705
potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride
CID 175045315
4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol
CID 142235099
calcium bis(5-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypentanoate)
CID 142330419
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-propan-2-ylphenyl)urea
CID 141472643
[3-hydroxy-2-(hydroxymethyl)propyl] 2-amino-5-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypentanoate
CID 175042665
2,6-dichloro-N-[3-chloro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 67074092
3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;1-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 158726565
[1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol
CID 142235154
2,5-dichloro-N-[3-chloro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 67074579
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol (CID 142235213) is 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol is COc1cc2c(Oc3ccc(Nc4ccc(C(C)C)cc4)cc3Cl)ccnc2cc1OCCN(CCO)CCO.
What is the InChIKey of 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is OWQYKGXTLVEDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36ClN3O5/c1-21(2)22-4-6-23(7-5-22)34-24-8-9-29(26(32)18-24)40-28-10-11-33-27-20-31(30(38-3)19-25(27)28)39-17-14-35(12-15-36)13-16-37/h4-11,18-21,34,36-37H,12-17H2,1-3H3.
What are the key properties of 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol?
2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 566.10 g/mol, XLogP of 6.22, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 142235213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).