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

C16H13ClFNO2 — CID 82877379

IUPAC(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(F)c(Cl)c1)N1CCCc2cccc(O)c21
InChIInChI=1S/C16H13ClFNO2/c17-12-9-11(6-7-13(12)18)16(21)19-8-2-4-10-3-1-5-14(20)15(10)19/h1,3,5-7,9,20H,2,4,8H2
InChIKeyHJEDJNXHRMCAGR-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.78
Rot. Bonds1

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

(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 82877379) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID82877379
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(F)c(Cl)c1)N1CCCc2cccc(O)c21
InChIInChI=1S/C16H13ClFNO2/c17-12-9-11(6-7-13(12)18)16(21)19-8-2-4-10-3-1-5-14(20)15(10)19/h1,3,5-7,9,20H,2,4,8H2
InChIKeyHJEDJNXHRMCAGR-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106502280
(5-bromo-2-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63214927
(4-fluoro-2-methylphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115970106
(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215264
5-(8-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 63215159
(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 114455583
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
3,4-dihydro-2H-quinolin-1-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107021556
(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875817

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 82877379) is (3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(F)c(Cl)c1)N1CCCc2cccc(O)c21.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HJEDJNXHRMCAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-12-9-11(6-7-13(12)18)16(21)19-8-2-4-10-3-1-5-14(20)15(10)19/h1,3,5-7,9,20H,2,4,8H2.
What are the key properties of (3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 305.74 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 82877379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).