[5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol

C27H31ClN2O2 — CID 25191766

IUPAC[5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccc(Cl)cc1CO
InChIInChI=1S/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-22(10-7-11-23(27)30-24)29-21-13-12-20(28)14-19(21)16-31/h6,8-9,12-15,22,29,31H,4-5,7,10-11,16H2,1-3H3
InChIKeyMWKMYPWGQZYLTG-UHFFFAOYSA-N
MW451.01 g/mol
LogP6.52
Rot. Bonds7

About [5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol

[5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol (PubChem CID 25191766) has the molecular formula C27H31ClN2O2 and a molecular weight of 451.01 g/mol. Its IUPAC name is [5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol
PubChem CID25191766
Molecular FormulaC27H31ClN2O2
Molecular Weight451.01 g/mol
Exact Mass450.21
IUPAC Name[5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccc(Cl)cc1CO
InChIInChI=1S/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-22(10-7-11-23(27)30-24)29-21-13-12-20(28)14-19(21)16-31/h6,8-9,12-15,22,29,31H,4-5,7,10-11,16H2,1-3H3
InChIKeyMWKMYPWGQZYLTG-UHFFFAOYSA-N
XLogP6.52
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.01
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol?
The IUPAC name of [5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol (CID 25191766) is [5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol?
The InChIKey is MWKMYPWGQZYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-22(10-7-11-23(27)30-24)29-21-13-12-20(28)14-19(21)16-31/h6,8-9,12-15,22,29,31H,4-5,7,10-11,16H2,1-3H3.
What are the key properties of [5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol?
[5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol has a molecular weight of 451.01 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]methanol is sourced from PubChem (CID 25191766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).