8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one

C15H17N3O4 — CID 155294760

IUPAC8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one
SMILESCOc1ccccc1C1CC(=O)N2CCCNC2=C1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O4/c1-22-12-6-3-2-5-10(12)11-9-13(19)17-8-4-7-16-15(17)14(11)18(20)21/h2-3,5-6,11,16H,4,7-9H2,1H3
InChIKeyPPYGQLIHSYTERJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.45
Rot. Bonds3

About 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one

8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one (PubChem CID 155294760) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one
PubChem CID155294760
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one
SMILESCOc1ccccc1C1CC(=O)N2CCCNC2=C1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O4/c1-22-12-6-3-2-5-10(12)11-9-13(19)17-8-4-7-16-15(17)14(11)18(20)21/h2-3,5-6,11,16H,4,7-9H2,1H3
InChIKeyPPYGQLIHSYTERJ-UHFFFAOYSA-N
XLogP1.45
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one with MolForge

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Related Compounds

6-Amino-5-[1-(2-methoxyphenyl)-2-nitroethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2732574
6-Amino-5-[1-(2-methoxyphenyl)-2-nitropropyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2732793
6-Amino-5-[1-(2-fluoro-6-methoxyphenyl)-2-nitroethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2732795
9-(2-Hydroxyphenyl)-10-nitro-2,3,4,5,8,9-hexahydropyrido[1,2-a][1,3]diazepin-7(1h)-one
CID 132281742
5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 135025087
3,3-Dimethyl-9-nitro-8-(2-methoxyphenyl)-1,2,3,4,7,8-hexahydro-6h-pyrido[1,2-a]pyrimidin-6-one
CID 155294787
6-amino-5-[(1R)-1-(2-fluoro-6-methoxyphenyl)-2-nitroethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 6977566
6-amino-5-[(1S)-1-(2-fluoro-6-methoxyphenyl)-2-nitroethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 6977567
5-(2-methoxybenzyl)-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 4053485
3-[1-(2-Methoxyphenyl)prop-2-enyl]-5-nitro-6-phenylpiperidin-2-one
CID 67706523
3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide
CID 90944408
(5S)-5-[(2-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 1516250

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one?
The IUPAC name of 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one (CID 155294760) is 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one is COc1ccccc1C1CC(=O)N2CCCNC2=C1[N+](=O)[O-].
What is the InChIKey of 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one?
The InChIKey is PPYGQLIHSYTERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-12-6-3-2-5-10(12)11-9-13(19)17-8-4-7-16-15(17)14(11)18(20)21/h2-3,5-6,11,16H,4,7-9H2,1H3.
What are the key properties of 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one?
8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one has a molecular weight of 303.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 155294760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).