3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone

C21H19FN4O — CID 109335577

IUPAC3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCCc3ccccc32)nc(Nc2ccccc2F)n1
InChIInChI=1S/C21H19FN4O/c1-14-13-18(25-21(23-14)24-17-10-4-3-9-16(17)22)20(27)26-12-6-8-15-7-2-5-11-19(15)26/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,23,24,25)
InChIKeyGRRDEWBOSDQOMF-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.26
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone (PubChem CID 109335577) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
PubChem CID109335577
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCCc3ccccc32)nc(Nc2ccccc2F)n1
InChIInChI=1S/C21H19FN4O/c1-14-13-18(25-21(23-14)24-17-10-4-3-9-16(17)22)20(27)26-12-6-8-15-7-2-5-11-19(15)26/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,23,24,25)
InChIKeyGRRDEWBOSDQOMF-UHFFFAOYSA-N
XLogP4.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109335606
[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109335464
3,4-dihydro-2H-quinolin-1-yl-[6-methyl-2-(4-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109335576
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109328663
2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 109335514
methyl 2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109335497
3-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 109335602
3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone
CID 109197873
2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335480
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109334352
3,4-dihydro-2H-quinolin-1-yl-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322335

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone (CID 109335577) is 3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCCc3ccccc32)nc(Nc2ccccc2F)n1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone?
The InChIKey is GRRDEWBOSDQOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14-13-18(25-21(23-14)24-17-10-4-3-9-16(17)22)20(27)26-12-6-8-15-7-2-5-11-19(15)26/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,23,24,25).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone has a molecular weight of 362.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109335577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).