6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C18H18F2N4O3 — CID 135963111

IUPAC6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(c1ccc(F)c(F)c1)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1
InChIInChI=1S/C18H18F2N4O3/c19-13-2-1-11(9-14(13)20)17(26)24-4-3-15-12(10-24)16(25)22-18(21-15)23-5-7-27-8-6-23/h1-2,9H,3-8,10H2,(H,21,22,25)
InChIKeyMUXHYSLWPYEJOT-UHFFFAOYSA-N
MW376.36 g/mol
LogP1.08
Rot. Bonds2

About 6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135963111) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is 6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135963111
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(c1ccc(F)c(F)c1)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1
InChIInChI=1S/C18H18F2N4O3/c19-13-2-1-11(9-14(13)20)17(26)24-4-3-15-12(10-24)16(25)22-18(21-15)23-5-7-27-8-6-23/h1-2,9H,3-8,10H2,(H,21,22,25)
InChIKeyMUXHYSLWPYEJOT-UHFFFAOYSA-N
XLogP1.08
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4(3H)-Quinazolinone, 2-morpholino-
CID 135413123
N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide
CID 122179718
2-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide
CID 122179719
3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide
CID 122179720
4-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide
CID 122179721
2-(morpholin-4-yl)-7-{[2-(trifluoromethyl)phenyl]methyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 136665498
2-morpholino-7-(2,4,5-trifluorobenzyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 136665507
3-fluoro-4-[3-morpholin-4-yl-4-oxo-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile
CID 66686129
2-(morpholin-4-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 136665499
7-(3,4-difluorobenzyl)-2-morpholino-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 136665816
2-morpholino-7-[4-(trifluoromethyl)benzyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 136665813
4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 3316871

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135963111) is 6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(c1ccc(F)c(F)c1)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MUXHYSLWPYEJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c19-13-2-1-11(9-14(13)20)17(26)24-4-3-15-12(10-24)16(25)22-18(21-15)23-5-7-27-8-6-23/h1-2,9H,3-8,10H2,(H,21,22,25).
What are the key properties of 6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 376.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135963111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).