1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol

C23H27ClN2O3 — CID 90669158

IUPAC1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1cc(-c2ccc(OC)c(OC)c2)nc2cc(Cl)ccc12
InChIInChI=1S/C23H27ClN2O3/c1-5-26(6-2)14-21(27)18-13-19(25-20-12-16(24)8-9-17(18)20)15-7-10-22(28-3)23(11-15)29-4/h7-13,21,27H,5-6,14H2,1-4H3
InChIKeyMVQBDSHATRULID-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.95
Rot. Bonds8

About 1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol

1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol (PubChem CID 90669158) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol.

Molecular Properties

Compound Name1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol
PubChem CID90669158
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1cc(-c2ccc(OC)c(OC)c2)nc2cc(Cl)ccc12
InChIInChI=1S/C23H27ClN2O3/c1-5-26(6-2)14-21(27)18-13-19(25-20-12-16(24)8-9-17(18)20)15-7-10-22(28-3)23(11-15)29-4/h7-13,21,27H,5-6,14H2,1-4H3
InChIKeyMVQBDSHATRULID-UHFFFAOYSA-N
XLogP4.95
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol?
The IUPAC name of 1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol (CID 90669158) is 1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol.
What is the SMILES notation for 1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol?
The canonical SMILES for 1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol is CCN(CC)CC(O)c1cc(-c2ccc(OC)c(OC)c2)nc2cc(Cl)ccc12.
What is the InChIKey of 1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol?
The InChIKey is MVQBDSHATRULID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-5-26(6-2)14-21(27)18-13-19(25-20-12-16(24)8-9-17(18)20)15-7-10-22(28-3)23(11-15)29-4/h7-13,21,27H,5-6,14H2,1-4H3.
What are the key properties of 1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol?
1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol has a molecular weight of 414.93 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol is sourced from PubChem (CID 90669158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).