2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol

C28H28F2N4O2 — CID 145443469

IUPAC2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol
SMILESCc1ccnc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(NCCO)CC4)c3c2)c1O
InChIInChI=1S/C28H28F2N4O2/c1-17-4-7-32-26(28(17)36)18-2-3-25-23(14-18)27(34-9-5-22(6-10-34)31-8-11-35)24(16-33-25)19-12-20(29)15-21(30)13-19/h2-4,7,12-16,22,31,35-36H,5-6,8-11H2,1H3
InChIKeyHDLAJTMTYHFPBX-UHFFFAOYSA-N
MW490.55 g/mol
LogP4.81
Rot. Bonds6

About 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol

2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol (PubChem CID 145443469) has the molecular formula C28H28F2N4O2 and a molecular weight of 490.55 g/mol. Its IUPAC name is 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol
PubChem CID145443469
Molecular FormulaC28H28F2N4O2
Molecular Weight490.55 g/mol
Exact Mass490.22
IUPAC Name2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol
SMILESCc1ccnc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(NCCO)CC4)c3c2)c1O
InChIInChI=1S/C28H28F2N4O2/c1-17-4-7-32-26(28(17)36)18-2-3-25-23(14-18)27(34-9-5-22(6-10-34)31-8-11-35)24(16-33-25)19-12-20(29)15-21(30)13-19/h2-4,7,12-16,22,31,35-36H,5-6,8-11H2,1H3
InChIKeyHDLAJTMTYHFPBX-UHFFFAOYSA-N
XLogP4.81
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol with MolForge

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Related Compounds

Paltusotine
CID 134168328
2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol
CID 135567438
4-(3-(5,7-Difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-ylamino)-5-morpholinopyridin-2-yl)phenol
CID 136027097
2-[(E)-hydroxyiminomethyl]-6-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]pyridin-3-ol
CID 136046122
3-[4-(4-Aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-5-fluoro-2-hydroxybenzonitrile
CID 140836905
2-[4-(4-Aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol
CID 140836984
3-[4-(4-Aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxybenzonitrile
CID 140837181
Styelsamine A
CID 10481817
5-[4-[[cis-4-(4,4-Difluoro-1-piperidinyl)cyclohexyl]amino]-6-quinazolinyl]-2-fluoro-3-pyridinol
CID 121266043
US9969749, Example 5-18
CID 130446816
US9969749, Example 5-17
CID 130446834
US9969749, Example 2-30
CID 130446847

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol?
The IUPAC name of 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol (CID 145443469) is 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol.
What is the SMILES notation for 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol?
The canonical SMILES for 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol is Cc1ccnc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(NCCO)CC4)c3c2)c1O.
What is the InChIKey of 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol?
The InChIKey is HDLAJTMTYHFPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N4O2/c1-17-4-7-32-26(28(17)36)18-2-3-25-23(14-18)27(34-9-5-22(6-10-34)31-8-11-35)24(16-33-25)19-12-20(29)15-21(30)13-19/h2-4,7,12-16,22,31,35-36H,5-6,8-11H2,1H3.
What are the key properties of 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol?
2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol has a molecular weight of 490.55 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluorophenyl)-4-[4-(2-hydroxyethylamino)piperidin-1-yl]quinolin-6-yl]-4-methylpyridin-3-ol is sourced from PubChem (CID 145443469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).