3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide

C28H28FN5O — CID 170018376

IUPAC3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide
SMILESCc1cc(NC2CCCC(NC(=O)c3cccc(Nc4ccnc5ccc(F)cc45)c3)C2)ccn1
InChIInChI=1S/C28H28FN5O/c1-18-14-24(10-12-30-18)32-22-6-3-7-23(17-22)34-28(35)19-4-2-5-21(15-19)33-27-11-13-31-26-9-8-20(29)16-25(26)27/h2,4-5,8-16,22-23H,3,6-7,17H2,1H3,(H,30,32)(H,31,33)(H,34,35)
InChIKeyCWWXNAGKINYVHA-UHFFFAOYSA-N
MW469.56 g/mol
LogP5.97
Rot. Bonds6

About 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide

3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide (PubChem CID 170018376) has the molecular formula C28H28FN5O and a molecular weight of 469.56 g/mol. Its IUPAC name is 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide
PubChem CID170018376
Molecular FormulaC28H28FN5O
Molecular Weight469.56 g/mol
Exact Mass469.23
IUPAC Name3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide
SMILESCc1cc(NC2CCCC(NC(=O)c3cccc(Nc4ccnc5ccc(F)cc45)c3)C2)ccn1
InChIInChI=1S/C28H28FN5O/c1-18-14-24(10-12-30-18)32-22-6-3-7-23(17-22)34-28(35)19-4-2-5-21(15-19)33-27-11-13-31-26-9-8-20(29)16-25(26)27/h2,4-5,8-16,22-23H,3,6-7,17H2,1H3,(H,30,32)(H,31,33)(H,34,35)
InChIKeyCWWXNAGKINYVHA-UHFFFAOYSA-N
XLogP5.97
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide with MolForge

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Related Compounds

3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(piperidin-4-ylamino)phenyl]benzamide
CID 166834688
N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(propan-2-ylsulfonylamino)benzamide
CID 163229146
N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
CID 170001843
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
CID 157042727
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
N-[3-[[1-(amino-methyl-oxo-λ6-sulfanylidene)azetidin-1-ium-3-yl]amino]phenyl]-3-[(6-cyanoquinolin-4-yl)amino]benzamide
CID 170018733
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-2-methylbenzamide
CID 170001846
N-[3-(1-bicyclo[1.1.1]pentanylamino)phenyl]-4-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 157043545

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide?
The IUPAC name of 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide (CID 170018376) is 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide is Cc1cc(NC2CCCC(NC(=O)c3cccc(Nc4ccnc5ccc(F)cc45)c3)C2)ccn1.
What is the InChIKey of 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide?
The InChIKey is CWWXNAGKINYVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O/c1-18-14-24(10-12-30-18)32-22-6-3-7-23(17-22)34-28(35)19-4-2-5-21(15-19)33-27-11-13-31-26-9-8-20(29)16-25(26)27/h2,4-5,8-16,22-23H,3,6-7,17H2,1H3,(H,30,32)(H,31,33)(H,34,35).
What are the key properties of 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide?
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide has a molecular weight of 469.56 g/mol, XLogP of 5.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 170018376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).