2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide

C16H18N2O3 — CID 172903097

IUPAC2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(C3CC3)c(C(=O)N(C)C)cc2c1
InChIInChI=1S/C16H18N2O3/c1-17(2)16(20)14-9-10-8-12(21-3)6-7-13(10)15(19)18(14)11-4-5-11/h6-9,11H,4-5H2,1-3H3
InChIKeyUJHAESUNYZOFAO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.05
Rot. Bonds3

About 2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide

2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 172903097) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
PubChem CID172903097
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(C3CC3)c(C(=O)N(C)C)cc2c1
InChIInChI=1S/C16H18N2O3/c1-17(2)16(20)14-9-10-8-12(21-3)6-7-13(10)15(19)18(14)11-4-5-11/h6-9,11H,4-5H2,1-3H3
InChIKeyUJHAESUNYZOFAO-UHFFFAOYSA-N
XLogP2.05
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172903255
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172902870
4-(6-methoxy-3-methyl-1-oxoisoquinolin-2-yl)cyclohexane-1-carboxylic acid
CID 71089801
2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 172904811
N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905235
N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905239
N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651492
7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923350
2-cyclopropyl-1-oxoisoquinoline-3-carboxamide
CID 171704244
2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
CID 172902930
2,6-dimethoxy-1-oxo-N-prop-2-ynylisoquinoline-3-carboxamide
CID 172905283

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide (CID 172903097) is 2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide is COc1ccc2c(=O)n(C3CC3)c(C(=O)N(C)C)cc2c1.
What is the InChIKey of 2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is UJHAESUNYZOFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17(2)16(20)14-9-10-8-12(21-3)6-7-13(10)15(19)18(14)11-4-5-11/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide?
2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172903097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).