4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol

C25H23FN2O3 — CID 142235099

IUPAC4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol
SMILESCOc1cc2c(Oc3ccc(Nc4ccc(C(C)C)cc4)c(F)c3)ccnc2cc1O
InChIInChI=1S/C25H23FN2O3/c1-15(2)16-4-6-17(7-5-16)28-21-9-8-18(12-20(21)26)31-24-10-11-27-22-14-23(29)25(30-3)13-19(22)24/h4-15,28-29H,1-3H3
InChIKeyCBTDQOFHOLISPP-UHFFFAOYSA-N
MW418.47 g/mol
LogP6.75
Rot. Bonds6

About 4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol

4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol (PubChem CID 142235099) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol.

Molecular Properties

Compound Name4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol
PubChem CID142235099
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol
SMILESCOc1cc2c(Oc3ccc(Nc4ccc(C(C)C)cc4)c(F)c3)ccnc2cc1O
InChIInChI=1S/C25H23FN2O3/c1-15(2)16-4-6-17(7-5-16)28-21-9-8-18(12-20(21)26)31-24-10-11-27-22-14-23(29)25(30-3)13-19(22)24/h4-15,28-29H,1-3H3
InChIKeyCBTDQOFHOLISPP-UHFFFAOYSA-N
XLogP6.75
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol
CID 135621708
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824
(E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide
CID 143878405
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
N-(2,4-difluorophenyl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-methoxypropanediamide
CID 22935461
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(3,3-dimethylbutyl)urea
CID 23022829
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
1-[4-[7-(1-bromoethoxy)-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(2,4-difluorophenyl)urea
CID 142651684
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 10050530
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]thiophene-2-carboxamide
CID 58738934

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol?
The IUPAC name of 4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol (CID 142235099) is 4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol.
What is the SMILES notation for 4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol?
The canonical SMILES for 4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol is COc1cc2c(Oc3ccc(Nc4ccc(C(C)C)cc4)c(F)c3)ccnc2cc1O.
What is the InChIKey of 4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol?
The InChIKey is CBTDQOFHOLISPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-15(2)16-4-6-17(7-5-16)28-21-9-8-18(12-20(21)26)31-24-10-11-27-22-14-23(29)25(30-3)13-19(22)24/h4-15,28-29H,1-3H3.
What are the key properties of 4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol?
4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol has a molecular weight of 418.47 g/mol, XLogP of 6.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol is sourced from PubChem (CID 142235099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).