3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone

C21H18FN3O — CID 109197873

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone
SMILESO=C(c1ccc(Nc2ccccc2F)cn1)N1CCCc2ccccc21
InChIInChI=1S/C21H18FN3O/c22-17-8-2-3-9-18(17)24-16-11-12-19(23-14-16)21(26)25-13-5-7-15-6-1-4-10-20(15)25/h1-4,6,8-12,14,24H,5,7,13H2
InChIKeyMFIZBORMBUDVJB-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.56
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone (PubChem CID 109197873) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone
PubChem CID109197873
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone
SMILESO=C(c1ccc(Nc2ccccc2F)cn1)N1CCCc2ccccc21
InChIInChI=1S/C21H18FN3O/c22-17-8-2-3-9-18(17)24-16-11-12-19(23-14-16)21(26)25-13-5-7-15-6-1-4-10-20(15)25/h1-4,6,8-12,14,24H,5,7,13H2
InChIKeyMFIZBORMBUDVJB-UHFFFAOYSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
CID 109197743
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739
[5-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109180125
3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335577
[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109197752
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]methanone
CID 109186156
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
3,4-dihydro-2H-quinolin-1-yl-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]methanone
CID 109185837

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone (CID 109197873) is 3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone is O=C(c1ccc(Nc2ccccc2F)cn1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone?
The InChIKey is MFIZBORMBUDVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-17-8-2-3-9-18(17)24-16-11-12-19(23-14-16)21(26)25-13-5-7-15-6-1-4-10-20(15)25/h1-4,6,8-12,14,24H,5,7,13H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone has a molecular weight of 347.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109197873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).