2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol

C22H23ClFN3O4 — CID 22646596

IUPAC2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol
SMILESCOc1cc2c(Nc3cc(O)c(Cl)cc3F)ccnc2cc1OCCN1CCOCC1
InChIInChI=1S/C22H23ClFN3O4/c1-29-21-10-14-17(26-19-12-20(28)15(23)11-16(19)24)2-3-25-18(14)13-22(21)31-9-6-27-4-7-30-8-5-27/h2-3,10-13,28H,4-9H2,1H3,(H,25,26)
InChIKeyLHLJLIFRXYMOTB-UHFFFAOYSA-N
MW447.89 g/mol
LogP4.20
Rot. Bonds7

About 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol

2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol (PubChem CID 22646596) has the molecular formula C22H23ClFN3O4 and a molecular weight of 447.89 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol
PubChem CID22646596
Molecular FormulaC22H23ClFN3O4
Molecular Weight447.89 g/mol
Exact Mass447.14
IUPAC Name2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol
SMILESCOc1cc2c(Nc3cc(O)c(Cl)cc3F)ccnc2cc1OCCN1CCOCC1
InChIInChI=1S/C22H23ClFN3O4/c1-29-21-10-14-17(26-19-12-20(28)15(23)11-16(19)24)2-3-25-18(14)13-22(21)31-9-6-27-4-7-30-8-5-27/h2-3,10-13,28H,4-9H2,1H3,(H,25,26)
InChIKeyLHLJLIFRXYMOTB-UHFFFAOYSA-N
XLogP4.20
TPSA76.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.89
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol with MolForge

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Launch Full Analysis

Related Compounds

5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol
CID 71054222
1-azabicyclo[2.1.0]pentane;4-fluoro-5-[(6-methoxy-7-propoxyquinolin-4-yl)amino]-2-methylphenol;hydrochloride
CID 22646610
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22667181
5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile
CID 71498615
4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 10140112
ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine
CID 142235172
2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol
CID 54167934
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-amine;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
CID 162055752
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;2-hydroxyacetic acid
CID 175377162
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
4-fluoro-3-[[6-methoxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]quinazolin-4-yl]amino]-2-methylphenol
CID 118112199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol?
The IUPAC name of 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol (CID 22646596) is 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol.
What is the SMILES notation for 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol?
The canonical SMILES for 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol is COc1cc2c(Nc3cc(O)c(Cl)cc3F)ccnc2cc1OCCN1CCOCC1.
What is the InChIKey of 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol?
The InChIKey is LHLJLIFRXYMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O4/c1-29-21-10-14-17(26-19-12-20(28)15(23)11-16(19)24)2-3-25-18(14)13-22(21)31-9-6-27-4-7-30-8-5-27/h2-3,10-13,28H,4-9H2,1H3,(H,25,26).
What are the key properties of 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol?
2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol has a molecular weight of 447.89 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol is sourced from PubChem (CID 22646596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).