N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide

C15H16N2O4 — CID 172905235

IUPACN-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(OC)c(C(=O)NC3CC3)cc2c1
InChIInChI=1S/C15H16N2O4/c1-20-11-5-6-12-9(7-11)8-13(17(21-2)15(12)19)14(18)16-10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,16,18)
InChIKeyHKLRUNDJWWSKIC-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.96
Rot. Bonds4

About N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide

N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide (PubChem CID 172905235) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
PubChem CID172905235
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(OC)c(C(=O)NC3CC3)cc2c1
InChIInChI=1S/C15H16N2O4/c1-20-11-5-6-12-9(7-11)8-13(17(21-2)15(12)19)14(18)16-10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,16,18)
InChIKeyHKLRUNDJWWSKIC-UHFFFAOYSA-N
XLogP0.96
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905239
N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172902870
2,6-dimethoxy-1-oxo-N-prop-2-ynylisoquinoline-3-carboxamide
CID 172905283
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
CID 172882109
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 172903097
2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 172904811
2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
CID 172902930
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172903255
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide (CID 172905235) is N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide is COc1ccc2c(=O)n(OC)c(C(=O)NC3CC3)cc2c1.
What is the InChIKey of N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide?
The InChIKey is HKLRUNDJWWSKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-11-5-6-12-9(7-11)8-13(17(21-2)15(12)19)14(18)16-10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide?
N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172905235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).