1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol

C31H43ClN2O3 — CID 90669178

IUPAC1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol
SMILESCCCCCCN(CCCCCC)CC(O)c1cc(-c2ccc(OC)cc2)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C31H43ClN2O3/c1-5-7-9-11-17-34(18-12-10-8-6-2)22-30(35)26-20-28(23-13-15-24(36-3)16-14-23)33-29-21-31(37-4)27(32)19-25(26)29/h13-16,19-21,30,35H,5-12,17-18,22H2,1-4H3
InChIKeyPMHOUYZVFQSMCS-UHFFFAOYSA-N
MW527.15 g/mol
LogP8.07
Rot. Bonds16

About 1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol

1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol (PubChem CID 90669178) has the molecular formula C31H43ClN2O3 and a molecular weight of 527.15 g/mol. Its IUPAC name is 1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol.

Molecular Properties

Compound Name1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol
PubChem CID90669178
Molecular FormulaC31H43ClN2O3
Molecular Weight527.15 g/mol
Exact Mass526.30
IUPAC Name1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol
SMILESCCCCCCN(CCCCCC)CC(O)c1cc(-c2ccc(OC)cc2)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C31H43ClN2O3/c1-5-7-9-11-17-34(18-12-10-8-6-2)22-30(35)26-20-28(23-13-15-24(36-3)16-14-23)33-29-21-31(37-4)27(32)19-25(26)29/h13-16,19-21,30,35H,5-12,17-18,22H2,1-4H3
InChIKeyPMHOUYZVFQSMCS-UHFFFAOYSA-N
XLogP8.07
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.15
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[7-chloro-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dioctylamino)ethanol
CID 98128320
1-[6-chloro-3-(3,4-dichlorophenyl)-7-methoxynaphthalen-1-yl]-2-(dibutylamino)ethanol
CID 90669411
1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol
CID 90669087
4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride
CID 21146200
(1R)-1-(5-chloro-2-methoxyphenyl)-2-(dioctylamino)ethanol
CID 98529562
1-[7-chloro-2-(3,4-dimethoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol
CID 90669158
2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol
CID 90669589
2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride
CID 90669588
1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol
CID 90669659
6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol
CID 123317824
1-(3,6-dibromophenanthren-9-yl)-2-(dihexylamino)ethanol
CID 90668926
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol?
The IUPAC name of 1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol (CID 90669178) is 1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol.
What is the SMILES notation for 1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol?
The canonical SMILES for 1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol is CCCCCCN(CCCCCC)CC(O)c1cc(-c2ccc(OC)cc2)nc2cc(OC)c(Cl)cc12.
What is the InChIKey of 1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol?
The InChIKey is PMHOUYZVFQSMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43ClN2O3/c1-5-7-9-11-17-34(18-12-10-8-6-2)22-30(35)26-20-28(23-13-15-24(36-3)16-14-23)33-29-21-31(37-4)27(32)19-25(26)29/h13-16,19-21,30,35H,5-12,17-18,22H2,1-4H3.
What are the key properties of 1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol?
1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol has a molecular weight of 527.15 g/mol, XLogP of 8.07, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol is sourced from PubChem (CID 90669178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).