[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol

C16H9Cl4NO — CID 633002

IUPAC[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol
SMILESOCc1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H9Cl4NO/c17-10-5-11-9(7-22)4-15(21-16(11)14(20)6-10)8-1-2-12(18)13(19)3-8/h1-6,22H,7H2
InChIKeyLVQQKNJRQBEOSZ-UHFFFAOYSA-N
MW373.07 g/mol
LogP6.01
Rot. Bonds2

About [6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol

[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol (PubChem CID 633002) has the molecular formula C16H9Cl4NO and a molecular weight of 373.07 g/mol. Its IUPAC name is [6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol
PubChem CID633002
Molecular FormulaC16H9Cl4NO
Molecular Weight373.07 g/mol
Exact Mass370.94
IUPAC Name[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol
SMILESOCc1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H9Cl4NO/c17-10-5-11-9(7-22)4-15(21-16(11)14(20)6-10)8-1-2-12(18)13(19)3-8/h1-6,22H,7H2
InChIKeyLVQQKNJRQBEOSZ-UHFFFAOYSA-N
XLogP6.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.07
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

WR 30090
CID 31755
2-(Dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-4-quinolinyl]ethanol hydrochloride
CID 24200355
[8-Chloro-2-(4-chlorophenyl)quinolin-4-yl](piperidin-2-yl)methanol
CID 220885
4-Quinolinemethanol, 6,8-dichloro-2-phenyl-alpha-2-piperidinyl-
CID 197946
(2,6-Dichlorophenyl)-quinolin-2-ylmethanol
CID 230487
2-[2,6-Dichloro-4-(2-chlorophenyl)-3-quinolyl]ethanol
CID 53319662
6,7-Dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline
CID 155543412
2-(Dibutylamino)-1-[6,8-dichloro-2-(3-iodophenyl)quinolin-4-yl]ethanol
CID 284908
4-Chloro-alpha-(2-quinolinylmethyl)benzyl alcohol
CID 4525777
[6,8-Dichloro-2-(4-chlorophenyl)quinolin-4-yl]-piperidin-2-ylmethanol
CID 408491
1-[2-(4-Chlorophenyl)quinolin-4-yl]-2-(dibutylamino)ethanol
CID 412602
2-(Dibutylamino)-1-[6,8-dichloro-2-(2,6-dichlorophenyl)quinolin-4-yl]ethan-1-ol
CID 422219

Frequently Asked Questions

What is the IUPAC name of [6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol?
The IUPAC name of [6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol (CID 633002) is [6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol.
What is the SMILES notation for [6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol?
The canonical SMILES for [6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol is OCc1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of [6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol?
The InChIKey is LVQQKNJRQBEOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl4NO/c17-10-5-11-9(7-22)4-15(21-16(11)14(20)6-10)8-1-2-12(18)13(19)3-8/h1-6,22H,7H2.
What are the key properties of [6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol?
[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol has a molecular weight of 373.07 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]methanol is sourced from PubChem (CID 633002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).