5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol

C35H28F5N5O2 — CID 168883061

IUPAC5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol
SMILESCC(CCC(C)c1ncc(-c2cc(C(F)(F)F)c3cc(F)ccc3n2)cc1O)c1ncc(-c2cnc3c(F)cc(N)cc3c2)cc1O
InChIInChI=1S/C35H28F5N5O2/c1-17(32-30(46)9-21(15-42-32)20-7-19-8-24(41)12-27(37)34(19)44-14-20)3-4-18(2)33-31(47)10-22(16-43-33)29-13-26(35(38,39)40)25-11-23(36)5-6-28(25)45-29/h5-18,46-47H,3-4,41H2,1-2H3
InChIKeyMMAVPAVBSGZUKX-UHFFFAOYSA-N
MW645.63 g/mol
LogP8.88
Rot. Bonds7

About 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol

5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol (PubChem CID 168883061) has the molecular formula C35H28F5N5O2 and a molecular weight of 645.63 g/mol. Its IUPAC name is 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol
PubChem CID168883061
Molecular FormulaC35H28F5N5O2
Molecular Weight645.63 g/mol
Exact Mass645.22
IUPAC Name5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol
SMILESCC(CCC(C)c1ncc(-c2cc(C(F)(F)F)c3cc(F)ccc3n2)cc1O)c1ncc(-c2cnc3c(F)cc(N)cc3c2)cc1O
InChIInChI=1S/C35H28F5N5O2/c1-17(32-30(46)9-21(15-42-32)20-7-19-8-24(41)12-27(37)34(19)44-14-20)3-4-18(2)33-31(47)10-22(16-43-33)29-13-26(35(38,39)40)25-11-23(36)5-6-28(25)45-29/h5-18,46-47H,3-4,41H2,1-2H3
InChIKeyMMAVPAVBSGZUKX-UHFFFAOYSA-N
XLogP8.88
TPSA118.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.63
LogP ≤ 58.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol?
The IUPAC name of 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol (CID 168883061) is 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol.
What is the SMILES notation for 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol?
The canonical SMILES for 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol is CC(CCC(C)c1ncc(-c2cc(C(F)(F)F)c3cc(F)ccc3n2)cc1O)c1ncc(-c2cnc3c(F)cc(N)cc3c2)cc1O.
What is the InChIKey of 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol?
The InChIKey is MMAVPAVBSGZUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28F5N5O2/c1-17(32-30(46)9-21(15-42-32)20-7-19-8-24(41)12-27(37)34(19)44-14-20)3-4-18(2)33-31(47)10-22(16-43-33)29-13-26(35(38,39)40)25-11-23(36)5-6-28(25)45-29/h5-18,46-47H,3-4,41H2,1-2H3.
What are the key properties of 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol?
5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol has a molecular weight of 645.63 g/mol, XLogP of 8.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-8-fluoroquinolin-3-yl)-2-[5-[5-[6-fluoro-4-(trifluoromethyl)quinolin-2-yl]-3-hydroxy-2-pyridinyl]hexan-2-yl]pyridin-3-ol is sourced from PubChem (CID 168883061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).