4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride

C22H16Cl2FNO — CID 135591135

IUPAC4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride
SMILESCc1c(-c2ccc(O)cc2)nc2ccc(Cl)cc2c1-c1ccccc1F.Cl
InChIInChI=1S/C22H15ClFNO.ClH/c1-13-21(17-4-2-3-5-19(17)24)18-12-15(23)8-11-20(18)25-22(13)14-6-9-16(26)10-7-14;/h2-12,26H,1H3;1H
InChIKeyKYSUVVVALYPMKS-UHFFFAOYSA-N
MW400.28 g/mol
LogP6.80
Rot. Bonds2

About 4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride

4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride (PubChem CID 135591135) has the molecular formula C22H16Cl2FNO and a molecular weight of 400.28 g/mol. Its IUPAC name is 4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride
PubChem CID135591135
Molecular FormulaC22H16Cl2FNO
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride
SMILESCc1c(-c2ccc(O)cc2)nc2ccc(Cl)cc2c1-c1ccccc1F.Cl
InChIInChI=1S/C22H15ClFNO.ClH/c1-13-21(17-4-2-3-5-19(17)24)18-12-15(23)8-11-20(18)25-22(13)14-6-9-16(26)10-7-14;/h2-12,26H,1H3;1H
InChIKeyKYSUVVVALYPMKS-UHFFFAOYSA-N
XLogP6.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride?
The IUPAC name of 4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride (CID 135591135) is 4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride?
The canonical SMILES for 4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride is Cc1c(-c2ccc(O)cc2)nc2ccc(Cl)cc2c1-c1ccccc1F.Cl.
What is the InChIKey of 4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride?
The InChIKey is KYSUVVVALYPMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO.ClH/c1-13-21(17-4-2-3-5-19(17)24)18-12-15(23)8-11-20(18)25-22(13)14-6-9-16(26)10-7-14;/h2-12,26H,1H3;1H.
What are the key properties of 4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride?
4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride has a molecular weight of 400.28 g/mol, XLogP of 6.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 135591135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).