2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide

C15H18N2O3 — CID 171997190

IUPAC2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
SMILESCOCCn1c(C(=O)N(C)C)cc2ccccc2c1=O
InChIInChI=1S/C15H18N2O3/c1-16(2)15(19)13-10-11-6-4-5-7-12(11)14(18)17(13)8-9-20-3/h4-7,10H,8-9H2,1-3H3
InChIKeyXYOJFGKRLBXFSG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.35
Rot. Bonds4

About 2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide

2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 171997190) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
PubChem CID171997190
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
SMILESCOCCn1c(C(=O)N(C)C)cc2ccccc2c1=O
InChIInChI=1S/C15H18N2O3/c1-16(2)15(19)13-10-11-6-4-5-7-12(11)14(18)17(13)8-9-20-3/h4-7,10H,8-9H2,1-3H3
InChIKeyXYOJFGKRLBXFSG-UHFFFAOYSA-N
XLogP1.35
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 171704567
N-ethyl-2-(3-methylbutyl)-1-oxoisoquinoline-3-carboxamide
CID 171997172
2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide
CID 171700993
N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide
CID 171704849
2-(3-amino-1-oxoisoquinolin-2-yl)ethyl carbamate
CID 83203935
N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
CID 39313481
N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651492
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171701439
N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
CID 39341503
1-oxo-2-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide
CID 172882514
2-methyl-1-oxoisoquinoline-3-carboxamide
CID 171701094
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea
CID 42713839

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide (CID 171997190) is 2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide is COCCn1c(C(=O)N(C)C)cc2ccccc2c1=O.
What is the InChIKey of 2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is XYOJFGKRLBXFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16(2)15(19)13-10-11-6-4-5-7-12(11)14(18)17(13)8-9-20-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide?
2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 171997190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).