N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide

C16H20N2O3 — CID 172893314

IUPACN,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1cc2ccc(C)cc2c(=O)n1OC
InChIInChI=1S/C16H20N2O3/c1-5-17(6-2)16(20)14-10-12-8-7-11(3)9-13(12)15(19)18(14)21-4/h7-10H,5-6H2,1-4H3
InChIKeyPRVPZSUCKNMHBU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.85
Rot. Bonds4

About N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide

N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 172893314) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide
PubChem CID172893314
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1cc2ccc(C)cc2c(=O)n1OC
InChIInChI=1S/C16H20N2O3/c1-5-17(6-2)16(20)14-10-12-8-7-11(3)9-13(12)15(19)18(14)21-4/h7-10H,5-6H2,1-4H3
InChIKeyPRVPZSUCKNMHBU-UHFFFAOYSA-N
XLogP1.85
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide (CID 172893314) is N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide is CCN(CC)C(=O)c1cc2ccc(C)cc2c(=O)n1OC.
What is the InChIKey of N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is PRVPZSUCKNMHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-17(6-2)16(20)14-10-12-8-7-11(3)9-13(12)15(19)18(14)21-4/h7-10H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide?
N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172893314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).