2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one

C21H20N2O2 — CID 10640330

IUPAC2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one
SMILESCOc1c(N(C)C)c(-c2ccccc2)c(=O)n2c1-c1ccccc1C2
InChIInChI=1S/C21H20N2O2/c1-22(2)19-17(14-9-5-4-6-10-14)21(24)23-13-15-11-7-8-12-16(15)18(23)20(19)25-3/h4-12H,13H2,1-3H3
InChIKeyVOHQVLVVPHDXLR-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.62
Rot. Bonds3

About 2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one

2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one (PubChem CID 10640330) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one
PubChem CID10640330
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one
SMILESCOc1c(N(C)C)c(-c2ccccc2)c(=O)n2c1-c1ccccc1C2
InChIInChI=1S/C21H20N2O2/c1-22(2)19-17(14-9-5-4-6-10-14)21(24)23-13-15-11-7-8-12-16(15)18(23)20(19)25-3/h4-12H,13H2,1-3H3
InChIKeyVOHQVLVVPHDXLR-UHFFFAOYSA-N
XLogP3.62
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate
CID 20855117
32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione
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10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide
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5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one?
The IUPAC name of 2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one (CID 10640330) is 2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one.
What is the SMILES notation for 2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one?
The canonical SMILES for 2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one is COc1c(N(C)C)c(-c2ccccc2)c(=O)n2c1-c1ccccc1C2.
What is the InChIKey of 2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one?
The InChIKey is VOHQVLVVPHDXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-22(2)19-17(14-9-5-4-6-10-14)21(24)23-13-15-11-7-8-12-16(15)18(23)20(19)25-3/h4-12H,13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one?
2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one has a molecular weight of 332.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one is sourced from PubChem (CID 10640330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).