2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one

C29H25FN2O3 — CID 46228303

IUPAC2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(O)ccc2-c2c(-c3ccc(OCCN4CCCCC4)cc3)nc3ccc(F)cc3c21
InChIInChI=1S/C29H25FN2O3/c30-19-6-11-25-24(16-19)27-26(22-10-7-20(33)17-23(22)29(27)34)28(31-25)18-4-8-21(9-5-18)35-15-14-32-12-2-1-3-13-32/h4-11,16-17,33H,1-3,12-15H2
InChIKeyWOYKRZAICBUSRU-UHFFFAOYSA-N
MW468.53 g/mol
LogP5.82
Rot. Bonds5

About 2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one

2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one (PubChem CID 46228303) has the molecular formula C29H25FN2O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
PubChem CID46228303
Molecular FormulaC29H25FN2O3
Molecular Weight468.53 g/mol
Exact Mass468.18
IUPAC Name2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(O)ccc2-c2c(-c3ccc(OCCN4CCCCC4)cc3)nc3ccc(F)cc3c21
InChIInChI=1S/C29H25FN2O3/c30-19-6-11-25-24(16-19)27-26(22-10-7-20(33)17-23(22)29(27)34)28(31-25)18-4-8-21(9-5-18)35-15-14-32-12-2-1-3-13-32/h4-11,16-17,33H,1-3,12-15H2
InChIKeyWOYKRZAICBUSRU-UHFFFAOYSA-N
XLogP5.82
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-fluoro-9-methoxy-6-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine
CID 57392295
[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
CID 68950038
6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 68520285
[4-[2-(azepan-1-yl)ethoxy]phenyl]-[2-(2,4-difluorophenyl)-6-hydroxynaphthalen-1-yl]methanone;hydrochloride
CID 67005075
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol
CID 10053779
5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one
CID 11504179
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride
CID 69436628
4-[8-fluoro-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1-benzothiepin-4-yl]phenol
CID 23656715
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-thiophen-3-ylnaphthalen-2-ol
CID 58338597
2,7-dihydroxy-9-[3-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-b][1]benzothiol-10-one
CID 11812729

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The IUPAC name of 2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one (CID 46228303) is 2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one is O=C1c2cc(O)ccc2-c2c(-c3ccc(OCCN4CCCCC4)cc3)nc3ccc(F)cc3c21.
What is the InChIKey of 2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The InChIKey is WOYKRZAICBUSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O3/c30-19-6-11-25-24(16-19)27-26(22-10-7-20(33)17-23(22)29(27)34)28(31-25)18-4-8-21(9-5-18)35-15-14-32-12-2-1-3-13-32/h4-11,16-17,33H,1-3,12-15H2.
What are the key properties of 2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one has a molecular weight of 468.53 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-hydroxy-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 46228303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).