2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

C22H25N2O2P — CID 144885512

IUPAC2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
SMILESCOc1ccc(C2=CC(=O)N3C=C(C4=CCNCC4)C=C(C)C3P2)cc1C
InChIInChI=1S/C22H25N2O2P/c1-14-10-17(4-5-19(14)26-3)20-12-21(25)24-13-18(11-15(2)22(24)27-20)16-6-8-23-9-7-16/h4-6,10-13,22-23,27H,7-9H2,1-3H3
InChIKeyGOOJOUVAIANXAL-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.95
Rot. Bonds3

About 2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (PubChem CID 144885512) has the molecular formula C22H25N2O2P and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
PubChem CID144885512
Molecular FormulaC22H25N2O2P
Molecular Weight380.43 g/mol
Exact Mass380.17
IUPAC Name2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
SMILESCOc1ccc(C2=CC(=O)N3C=C(C4=CCNCC4)C=C(C)C3P2)cc1C
InChIInChI=1S/C22H25N2O2P/c1-14-10-17(4-5-19(14)26-3)20-12-21(25)24-13-18(11-15(2)22(24)27-20)16-6-8-23-9-7-16/h4-6,10-13,22-23,27H,7-9H2,1-3H3
InChIKeyGOOJOUVAIANXAL-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885162
2-(3,4-dimethoxyphenyl)-7-[4-(dimethylamino)cyclohexen-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885475
butane;7-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one;ethane
CID 144885290
4-(4-chloro-3-methoxyphenyl)-1,2,3,6-tetrahydropyridine
CID 79712172
4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 71742594
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-(3-butan-2-yl-4-methoxyphenyl)-7-[(2R)-2-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 135158885
3-amino-1-cyclopropyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82467193
2-(4-methoxy-3-methylphenyl)-4-methyl-1,4-dihydroimidazol-5-one
CID 106952061
4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine
CID 53434523
(5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione
CID 170010759
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (CID 144885512) is 2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is COc1ccc(C2=CC(=O)N3C=C(C4=CCNCC4)C=C(C)C3P2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The InChIKey is GOOJOUVAIANXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2O2P/c1-14-10-17(4-5-19(14)26-3)20-12-21(25)24-13-18(11-15(2)22(24)27-20)16-6-8-23-9-7-16/h4-6,10-13,22-23,27H,7-9H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one has a molecular weight of 380.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is sourced from PubChem (CID 144885512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).