[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C25H25FN4O2 — CID 59421280

IUPAC[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C25H25FN4O2/c1-17-10-11-18-6-2-5-9-22(18)30(17)24(31)20-16-27-25(29-12-14-32-15-13-29)28-23(20)19-7-3-4-8-21(19)26/h2-9,16-17H,10-15H2,1H3
InChIKeyHRUNEXRGABSPKE-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.10
Rot. Bonds3

About [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 59421280) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID59421280
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C25H25FN4O2/c1-17-10-11-18-6-2-5-9-22(18)30(17)24(31)20-16-27-25(29-12-14-32-15-13-29)28-23(20)19-7-3-4-8-21(19)26/h2-9,16-17H,10-15H2,1H3
InChIKeyHRUNEXRGABSPKE-UHFFFAOYSA-N
XLogP4.10
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 58674751
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone
CID 11547457
(3-fluoro-4-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115645498
(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024642
4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 59421325
N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11620083
N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11648323
N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421141
2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-(2-fluorophenyl)pyrimidine-5-carboxylic acid
CID 159934380
4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59421229
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 159670575
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid
CID 83180870

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 59421280) is [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2ccccc2N1C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.
What is the InChIKey of [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HRUNEXRGABSPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-17-10-11-18-6-2-5-9-22(18)30(17)24(31)20-16-27-25(29-12-14-32-15-13-29)28-23(20)19-7-3-4-8-21(19)26/h2-9,16-17H,10-15H2,1H3.
What are the key properties of [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 432.50 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 59421280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).