(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol

C18H17NO2 — CID 81198121

IUPAC(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol
SMILESCOc1ccc(C(O)c2ccc3cccnc3c2)cc1C
InChIInChI=1S/C18H17NO2/c1-12-10-14(7-8-17(12)21-2)18(20)15-6-5-13-4-3-9-19-16(13)11-15/h3-11,18,20H,1-2H3
InChIKeyJISLMEJUBWVLPY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.63
Rot. Bonds3

About (4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol

(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol (PubChem CID 81198121) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol
PubChem CID81198121
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol
SMILESCOc1ccc(C(O)c2ccc3cccnc3c2)cc1C
InChIInChI=1S/C18H17NO2/c1-12-10-14(7-8-17(12)21-2)18(20)15-6-5-13-4-3-9-19-16(13)11-15/h3-11,18,20H,1-2H3
InChIKeyJISLMEJUBWVLPY-UHFFFAOYSA-N
XLogP3.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol?
The IUPAC name of (4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol (CID 81198121) is (4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol?
The canonical SMILES for (4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol is COc1ccc(C(O)c2ccc3cccnc3c2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol?
The InChIKey is JISLMEJUBWVLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-10-14(7-8-17(12)21-2)18(20)15-6-5-13-4-3-9-19-16(13)11-15/h3-11,18,20H,1-2H3.
What are the key properties of (4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol?
(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol has a molecular weight of 279.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol is sourced from PubChem (CID 81198121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).