(4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol

C17H14ClNO2 — CID 79699853

IUPAC(4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol
SMILESCOc1cc(C(O)c2ccc3ccccc3n2)ccc1Cl
InChIInChI=1S/C17H14ClNO2/c1-21-16-10-12(6-8-13(16)18)17(20)15-9-7-11-4-2-3-5-14(11)19-15/h2-10,17,20H,1H3
InChIKeyKYQYLDOJVZYYJH-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.98
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol

(4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol (PubChem CID 79699853) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol
PubChem CID79699853
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol
SMILESCOc1cc(C(O)c2ccc3ccccc3n2)ccc1Cl
InChIInChI=1S/C17H14ClNO2/c1-21-16-10-12(6-8-13(16)18)17(20)15-9-7-11-4-2-3-5-14(11)19-15/h2-10,17,20H,1H3
InChIKeyKYQYLDOJVZYYJH-UHFFFAOYSA-N
XLogP3.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
2-Chloro-7-methoxyquinoline-3-methanol
CID 828415
3,9-Dichloro-7-methoxyacridine
CID 66577
2-[(E)-2-(5-chloro-2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 5730217
2-[3-(Quinolin-2-ylmethoxy)phenyl]heptan-2-ol
CID 14349135
Benzenemethanol, 3-(2-quinolinylmethoxy)-
CID 14650410
2-Chloro-6-methoxy-3-phenylquinoline
CID 5329279
3-[(4-Chlorophenyl)methoxy]-2-methylquinoline
CID 3375760
2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)vinyl]quinolin-8-ol
CID 5731706
5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol
CID 6187033
5,7-dichloro-2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinolin-8-ol
CID 6308858
1-[7-Chloro-2-(4-methoxyphenyl)quinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride
CID 24188326

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol?
The IUPAC name of (4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol (CID 79699853) is (4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol is COc1cc(C(O)c2ccc3ccccc3n2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol?
The InChIKey is KYQYLDOJVZYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-21-16-10-12(6-8-13(16)18)17(20)15-9-7-11-4-2-3-5-14(11)19-15/h2-10,17,20H,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol?
(4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol has a molecular weight of 299.76 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-quinolin-2-ylmethanol is sourced from PubChem (CID 79699853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).