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

C21H18F2N4O — CID 109335606

IUPAC[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCc3ccccc32)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C21H18F2N4O/c1-13-12-17(20(28)27-11-5-7-14-6-2-3-10-18(14)27)25-21(24-13)26-19-15(22)8-4-9-16(19)23/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,24,25,26)
InChIKeySPUXMONXOQZABV-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.40
Rot. Bonds3

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

[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109335606) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109335606
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCc3ccccc32)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C21H18F2N4O/c1-13-12-17(20(28)27-11-5-7-14-6-2-3-10-18(14)27)25-21(24-13)26-19-15(22)8-4-9-16(19)23/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,24,25,26)
InChIKeySPUXMONXOQZABV-UHFFFAOYSA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335577
3,4-dihydro-2H-quinolin-1-yl-[6-methyl-2-(4-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109335576
3-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 109335602
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109328663
[4-(2,6-difluoroanilino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109219687
2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335480
[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109335464
N-(2,6-difluorophenyl)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxamide
CID 109100371
[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
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

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109335606) is [2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc(C(=O)N2CCCc3ccccc32)nc(Nc2c(F)cccc2F)n1.
What is the InChIKey of [2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is SPUXMONXOQZABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c1-13-12-17(20(28)27-11-5-7-14-6-2-3-10-18(14)27)25-21(24-13)26-19-15(22)8-4-9-16(19)23/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,24,25,26).
What are the key properties of [2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 380.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109335606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).