(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H14ClNO3 — CID 106502280

IUPAC(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CCCc2cccc(O)c21
InChIInChI=1S/C16H14ClNO3/c17-13-7-6-11(19)9-12(13)16(21)18-8-2-4-10-3-1-5-14(20)15(10)18/h1,3,5-7,9,19-20H,2,4,8H2
InChIKeyURJMYCOOGSCOAQ-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.34
Rot. Bonds1

About (2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 106502280) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID106502280
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CCCc2cccc(O)c21
InChIInChI=1S/C16H14ClNO3/c17-13-7-6-11(19)9-12(13)16(21)18-8-2-4-10-3-1-5-14(20)15(10)18/h1,3,5-7,9,19-20H,2,4,8H2
InChIKeyURJMYCOOGSCOAQ-UHFFFAOYSA-N
XLogP3.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215264
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79807986
(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82877379
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
(4-fluoro-2-methylphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115970106
(5-bromo-2-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63214927
3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
CID 103891274
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 63214929
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
(2,5-dihydroxyphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107723234
(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112430
2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215456

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 106502280) is (2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cc(O)ccc1Cl)N1CCCc2cccc(O)c21.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is URJMYCOOGSCOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-13-7-6-11(19)9-12(13)16(21)18-8-2-4-10-3-1-5-14(20)15(10)18/h1,3,5-7,9,19-20H,2,4,8H2.
What are the key properties of (2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 303.75 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 106502280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).