(1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol

C18H16ClNO2 — CID 68585959

IUPAC(1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol
SMILESCc1cc2cccnc2c(-c2ccc(Cl)cc2)c1[C@H](O)CO
InChIInChI=1S/C18H16ClNO2/c1-11-9-13-3-2-8-20-18(13)17(16(11)15(22)10-21)12-4-6-14(19)7-5-12/h2-9,15,21-22H,10H2,1H3/t15-/m1/s1
InChIKeyCQDZNFTYGLNPSP-OAHLLOKOSA-N
MW313.78 g/mol
LogP3.89
Rot. Bonds3

About (1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol

(1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol (PubChem CID 68585959) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is (1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol
PubChem CID68585959
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name(1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol
SMILESCc1cc2cccnc2c(-c2ccc(Cl)cc2)c1[C@H](O)CO
InChIInChI=1S/C18H16ClNO2/c1-11-9-13-3-2-8-20-18(13)17(16(11)15(22)10-21)12-4-6-14(19)7-5-12/h2-9,15,21-22H,10H2,1H3/t15-/m1/s1
InChIKeyCQDZNFTYGLNPSP-OAHLLOKOSA-N
XLogP3.89
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol (CID 68585959) is (1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol is Cc1cc2cccnc2c(-c2ccc(Cl)cc2)c1[C@H](O)CO.
What is the InChIKey of (1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol?
The InChIKey is CQDZNFTYGLNPSP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-11-9-13-3-2-8-20-18(13)17(16(11)15(22)10-21)12-4-6-14(19)7-5-12/h2-9,15,21-22H,10H2,1H3/t15-/m1/s1.
What are the key properties of (1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol?
(1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol has a molecular weight of 313.78 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol is sourced from PubChem (CID 68585959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).