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

C18H22N2O3 — CID 172903255

IUPAC2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1cc2cc(OC)ccc2c(=O)n1C1CC1
InChIInChI=1S/C18H22N2O3/c1-4-19(5-2)18(22)16-11-12-10-14(23-3)8-9-15(12)17(21)20(16)13-6-7-13/h8-11,13H,4-7H2,1-3H3
InChIKeyIBWXTPCXTVICPS-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.83
Rot. Bonds5

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

2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide (PubChem CID 172903255) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
PubChem CID172903255
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1cc2cc(OC)ccc2c(=O)n1C1CC1
InChIInChI=1S/C18H22N2O3/c1-4-19(5-2)18(22)16-11-12-10-14(23-3)8-9-15(12)17(21)20(16)13-6-7-13/h8-11,13H,4-7H2,1-3H3
InChIKeyIBWXTPCXTVICPS-UHFFFAOYSA-N
XLogP2.83
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 172903097
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651492
N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172902870
2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 172904811
4-(6-methoxy-3-methyl-1-oxoisoquinolin-2-yl)cyclohexane-1-carboxylic acid
CID 71089801
N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905235
N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905239
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
6-methoxy-1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 175651448
2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid
CID 82247796

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide (CID 172903255) is 2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide is CCN(CC)C(=O)c1cc2cc(OC)ccc2c(=O)n1C1CC1.
What is the InChIKey of 2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide?
The InChIKey is IBWXTPCXTVICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-19(5-2)18(22)16-11-12-10-14(23-3)8-9-15(12)17(21)20(16)13-6-7-13/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide?
2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172903255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).