2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol

C23H26ClF2N3O — CID 167200027

IUPAC2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol
SMILESCC(CCCN(CCO)Cc1ccc(F)cc1F)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C23H26ClF2N3O/c1-16(28-22-8-9-27-23-13-18(24)5-7-20(22)23)3-2-10-29(11-12-30)15-17-4-6-19(25)14-21(17)26/h4-9,13-14,16,30H,2-3,10-12,15H2,1H3,(H,27,28)
InChIKeyZEWILHMESKNNLI-UHFFFAOYSA-N
MW433.93 g/mol
LogP5.24
Rot. Bonds10

About 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol

2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol (PubChem CID 167200027) has the molecular formula C23H26ClF2N3O and a molecular weight of 433.93 g/mol. Its IUPAC name is 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol
PubChem CID167200027
Molecular FormulaC23H26ClF2N3O
Molecular Weight433.93 g/mol
Exact Mass433.17
IUPAC Name2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol
SMILESCC(CCCN(CCO)Cc1ccc(F)cc1F)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C23H26ClF2N3O/c1-16(28-22-8-9-27-23-13-18(24)5-7-20(22)23)3-2-10-29(11-12-30)15-17-4-6-19(25)14-21(17)26/h4-9,13-14,16,30H,2-3,10-12,15H2,1H3,(H,27,28)
InChIKeyZEWILHMESKNNLI-UHFFFAOYSA-N
XLogP5.24
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.93
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol with MolForge

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Related Compounds

2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-(1,1,2,2,2-pentadeuterioethyl)amino]ethanol
CID 169441702
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]ethanol
CID 167200197
2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
CID 167200255
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;phosphoric acid
CID 71586887
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
CID 134081808
CID 134081808
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
4-N-(7-chloro-3-tritioquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 10087451
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol (CID 167200027) is 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol is CC(CCCN(CCO)Cc1ccc(F)cc1F)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol?
The InChIKey is ZEWILHMESKNNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF2N3O/c1-16(28-22-8-9-27-23-13-18(24)5-7-20(22)23)3-2-10-29(11-12-30)15-17-4-6-19(25)14-21(17)26/h4-9,13-14,16,30H,2-3,10-12,15H2,1H3,(H,27,28).
What are the key properties of 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol?
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol has a molecular weight of 433.93 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-[(2,4-difluorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 167200027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).