(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C16H13F2NO — CID 736346

IUPAC(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCc2ccccc21
InChIInChI=1S/C16H13F2NO/c17-12-7-8-13(14(18)10-12)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2
InChIKeyCQPFBZSKTOOYIB-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.56
Rot. Bonds1

About (2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 736346) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID736346
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCc2ccccc21
InChIInChI=1S/C16H13F2NO/c17-12-7-8-13(14(18)10-12)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2
InChIKeyCQPFBZSKTOOYIB-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505775
[2-(2,5-difluorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46195845
(2-fluoro-5-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031389
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
CID 103891274
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107021556
(4-bromo-2-sulfanylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107021560
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one
CID 39851032
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 29406171

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 736346) is (2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(F)cc1F)N1CCCc2ccccc21.
What is the InChIKey of (2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is CQPFBZSKTOOYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-12-7-8-13(14(18)10-12)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of (2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 273.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 736346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).