(4-chloro-7-phenylmethoxyquinolin-3-yl)methanol

C17H14ClNO2 — CID 169092914

IUPAC(4-chloro-7-phenylmethoxyquinolin-3-yl)methanol
SMILESOCc1cnc2cc(OCc3ccccc3)ccc2c1Cl
InChIInChI=1S/C17H14ClNO2/c18-17-13(10-20)9-19-16-8-14(6-7-15(16)17)21-11-12-4-2-1-3-5-12/h1-9,20H,10-11H2
InChIKeyFSHJTBQFCWVVRF-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.96
Rot. Bonds4

About (4-chloro-7-phenylmethoxyquinolin-3-yl)methanol

(4-chloro-7-phenylmethoxyquinolin-3-yl)methanol (PubChem CID 169092914) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (4-chloro-7-phenylmethoxyquinolin-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-7-phenylmethoxyquinolin-3-yl)methanol
PubChem CID169092914
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(4-chloro-7-phenylmethoxyquinolin-3-yl)methanol
SMILESOCc1cnc2cc(OCc3ccccc3)ccc2c1Cl
InChIInChI=1S/C17H14ClNO2/c18-17-13(10-20)9-19-16-8-14(6-7-15(16)17)21-11-12-4-2-1-3-5-12/h1-9,20H,10-11H2
InChIKeyFSHJTBQFCWVVRF-UHFFFAOYSA-N
XLogP3.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
(4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol
CID 169092952
3-bromo-4-chloro-6-phenylmethoxyquinoline
CID 114759884
4-chloro-6-phenylmethoxyquinolin-3-amine
CID 102614162
1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone
CID 169092939
4-hydrazinyl-7-phenylmethoxyquinolin-3-amine
CID 69151433
1-chloro-4-hydroxy-7-phenylmethoxyisoquinoline-3-carboxylic acid
CID 18698130
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
4-chloro-6-phenylmethoxyquinoline
CID 23078431
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
(4-methyl-6-phenylmethoxyquinolin-2-yl)methanol
CID 82576433

Frequently Asked Questions

What is the IUPAC name of (4-chloro-7-phenylmethoxyquinolin-3-yl)methanol?
The IUPAC name of (4-chloro-7-phenylmethoxyquinolin-3-yl)methanol (CID 169092914) is (4-chloro-7-phenylmethoxyquinolin-3-yl)methanol.
What is the SMILES notation for (4-chloro-7-phenylmethoxyquinolin-3-yl)methanol?
The canonical SMILES for (4-chloro-7-phenylmethoxyquinolin-3-yl)methanol is OCc1cnc2cc(OCc3ccccc3)ccc2c1Cl.
What is the InChIKey of (4-chloro-7-phenylmethoxyquinolin-3-yl)methanol?
The InChIKey is FSHJTBQFCWVVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-17-13(10-20)9-19-16-8-14(6-7-15(16)17)21-11-12-4-2-1-3-5-12/h1-9,20H,10-11H2.
What are the key properties of (4-chloro-7-phenylmethoxyquinolin-3-yl)methanol?
(4-chloro-7-phenylmethoxyquinolin-3-yl)methanol has a molecular weight of 299.76 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-7-phenylmethoxyquinolin-3-yl)methanol is sourced from PubChem (CID 169092914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).