10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide

C21H17ClN2O2 — CID 18957083

IUPAC10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1c(Cl)cccc1C2
InChIInChI=1S/C21H17ClN2O2/c1-23(2)20(25)16-11-15(13-7-4-3-5-8-13)21(26)24-12-14-9-6-10-17(22)18(14)19(16)24/h3-11H,12H2,1-2H3
InChIKeyIGVVSNXAHADMEL-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.90
Rot. Bonds2

About 10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide

10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide (PubChem CID 18957083) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide.

Molecular Properties

Compound Name10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide
PubChem CID18957083
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1c(Cl)cccc1C2
InChIInChI=1S/C21H17ClN2O2/c1-23(2)20(25)16-11-15(13-7-4-3-5-8-13)21(26)24-12-14-9-6-10-17(22)18(14)19(16)24/h3-11H,12H2,1-2H3
InChIKeyIGVVSNXAHADMEL-UHFFFAOYSA-N
XLogP3.90
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide?
The IUPAC name of 10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide (CID 18957083) is 10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide.
What is the SMILES notation for 10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide?
The canonical SMILES for 10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide is CN(C)C(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1c(Cl)cccc1C2.
What is the InChIKey of 10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide?
The InChIKey is IGVVSNXAHADMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-23(2)20(25)16-11-15(13-7-4-3-5-8-13)21(26)24-12-14-9-6-10-17(22)18(14)19(16)24/h3-11H,12H2,1-2H3.
What are the key properties of 10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide?
10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide is sourced from PubChem (CID 18957083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).