2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol

C23H24Cl2N2O4 — CID 70308201

IUPAC2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol
SMILESC=C1Oc2c(ccc(OC)c2OC2CCCC2)C(Nc2c(Cl)cncc2Cl)=C1CCO
InChIInChI=1S/C23H24Cl2N2O4/c1-13-15(9-10-28)20(27-21-17(24)11-26-12-18(21)25)16-7-8-19(29-2)23(22(16)30-13)31-14-5-3-4-6-14/h7-8,11-12,14,28H,1,3-6,9-10H2,2H3,(H,26,27)
InChIKeyHELYKPGPUBJCCP-UHFFFAOYSA-N
MW463.36 g/mol
LogP5.83
Rot. Bonds7

About 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol

2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol (PubChem CID 70308201) has the molecular formula C23H24Cl2N2O4 and a molecular weight of 463.36 g/mol. Its IUPAC name is 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol.

Molecular Properties

Compound Name2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol
PubChem CID70308201
Molecular FormulaC23H24Cl2N2O4
Molecular Weight463.36 g/mol
Exact Mass462.11
IUPAC Name2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol
SMILESC=C1Oc2c(ccc(OC)c2OC2CCCC2)C(Nc2c(Cl)cncc2Cl)=C1CCO
InChIInChI=1S/C23H24Cl2N2O4/c1-13-15(9-10-28)20(27-21-17(24)11-26-12-18(21)25)16-7-8-19(29-2)23(22(16)30-13)31-14-5-3-4-6-14/h7-8,11-12,14,28H,1,3-6,9-10H2,2H3,(H,26,27)
InChIKeyHELYKPGPUBJCCP-UHFFFAOYSA-N
XLogP5.83
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.36
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopentyloxy-1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-3-oxidophthalazin-3-ium
CID 18504826
2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 117460411
1-[2-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,5-dichloro-4-pyridinyl)thiourea
CID 983123
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-N-methylethanamine
CID 117456580
8-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-2-ethoxy-7-methylquinolin-4-amine
CID 143607618
2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone
CID 142942613
3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine
CID 21187965
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117481112
7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine
CID 24958044
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
(3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride
CID 22123182
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927

Frequently Asked Questions

What is the IUPAC name of 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol?
The IUPAC name of 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol (CID 70308201) is 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol.
What is the SMILES notation for 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol?
The canonical SMILES for 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol is C=C1Oc2c(ccc(OC)c2OC2CCCC2)C(Nc2c(Cl)cncc2Cl)=C1CCO.
What is the InChIKey of 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol?
The InChIKey is HELYKPGPUBJCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O4/c1-13-15(9-10-28)20(27-21-17(24)11-26-12-18(21)25)16-7-8-19(29-2)23(22(16)30-13)31-14-5-3-4-6-14/h7-8,11-12,14,28H,1,3-6,9-10H2,2H3,(H,26,27).
What are the key properties of 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol?
2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol has a molecular weight of 463.36 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-2-methylidenechromen-3-yl]ethanol is sourced from PubChem (CID 70308201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).