N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide

C18H16N2O2 — CID 1487882

IUPACN,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide
SMILESCN(C)C(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C18H16N2O2/c1-19(2)17(21)16-12-20(13-8-4-3-5-9-13)18(22)15-11-7-6-10-14(15)16/h3-12H,1-2H3
InChIKeyLSQJTZJZIXGCNI-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.69
Rot. Bonds2

About N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide

N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide (PubChem CID 1487882) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide
PubChem CID1487882
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide
SMILESCN(C)C(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C18H16N2O2/c1-19(2)17(21)16-12-20(13-8-4-3-5-9-13)18(22)15-11-7-6-10-14(15)16/h3-12H,1-2H3
InChIKeyLSQJTZJZIXGCNI-UHFFFAOYSA-N
XLogP2.69
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide (CID 1487882) is N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide is CN(C)C(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide?
The InChIKey is LSQJTZJZIXGCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-19(2)17(21)16-12-20(13-8-4-3-5-9-13)18(22)15-11-7-6-10-14(15)16/h3-12H,1-2H3.
What are the key properties of N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide?
N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxamide is sourced from PubChem (CID 1487882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).