(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol

C17H14ClNO — CID 115826971

IUPAC(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
SMILESCc1cccc(C(O)c2cccc3cccnc23)c1Cl
InChIInChI=1S/C17H14ClNO/c1-11-5-2-8-13(15(11)18)17(20)14-9-3-6-12-7-4-10-19-16(12)14/h2-10,17,20H,1H3
InChIKeyJBUSFYUHEPRLBO-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.28
Rot. Bonds2

About (2-chloro-3-methylphenyl)-quinolin-8-ylmethanol

(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol (PubChem CID 115826971) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-quinolin-8-ylmethanol.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
PubChem CID115826971
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
SMILESCc1cccc(C(O)c2cccc3cccnc23)c1Cl
InChIInChI=1S/C17H14ClNO/c1-11-5-2-8-13(15(11)18)17(20)14-9-3-6-12-7-4-10-19-16(12)14/h2-10,17,20H,1H3
InChIKeyJBUSFYUHEPRLBO-UHFFFAOYSA-N
XLogP4.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-3-pyridinyl)-quinolin-8-ylmethanol
CID 66273941
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063
(3-chloro-4-pyridinyl)-quinolin-8-ylmethanol
CID 105118816
(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
CID 115527954
(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol
CID 81215844
(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol
CID 114980240
(1-ethylimidazol-2-yl)-quinolin-8-ylmethanol
CID 55126409
8-(dichloromethyl)quinoline
CID 19989328
2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol
CID 81210035
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
(5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol
CID 79742263
(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
CID 82704162

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-quinolin-8-ylmethanol?
The IUPAC name of (2-chloro-3-methylphenyl)-quinolin-8-ylmethanol (CID 115826971) is (2-chloro-3-methylphenyl)-quinolin-8-ylmethanol.
What is the SMILES notation for (2-chloro-3-methylphenyl)-quinolin-8-ylmethanol?
The canonical SMILES for (2-chloro-3-methylphenyl)-quinolin-8-ylmethanol is Cc1cccc(C(O)c2cccc3cccnc23)c1Cl.
What is the InChIKey of (2-chloro-3-methylphenyl)-quinolin-8-ylmethanol?
The InChIKey is JBUSFYUHEPRLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-5-2-8-13(15(11)18)17(20)14-9-3-6-12-7-4-10-19-16(12)14/h2-10,17,20H,1H3.
What are the key properties of (2-chloro-3-methylphenyl)-quinolin-8-ylmethanol?
(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol has a molecular weight of 283.76 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylphenyl)-quinolin-8-ylmethanol is sourced from PubChem (CID 115826971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).