N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide

C19H24N2O4 — CID 172905239

IUPACN-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(OC)c(C(=O)NCC3CCCCC3)cc2c1
InChIInChI=1S/C19H24N2O4/c1-24-15-8-9-16-14(10-15)11-17(21(25-2)19(16)23)18(22)20-12-13-6-4-3-5-7-13/h8-11,13H,3-7,12H2,1-2H3,(H,20,22)
InChIKeyYIDQHYGJSFDDOG-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.38
Rot. Bonds5

About N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide

N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide (PubChem CID 172905239) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
PubChem CID172905239
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(OC)c(C(=O)NCC3CCCCC3)cc2c1
InChIInChI=1S/C19H24N2O4/c1-24-15-8-9-16-14(10-15)11-17(21(25-2)19(16)23)18(22)20-12-13-6-4-3-5-7-13/h8-11,13H,3-7,12H2,1-2H3,(H,20,22)
InChIKeyYIDQHYGJSFDDOG-UHFFFAOYSA-N
XLogP2.38
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905235
2,6-dimethoxy-1-oxo-N-prop-2-ynylisoquinoline-3-carboxamide
CID 172905283
N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172902870
5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
CID 56721773
2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 172904811
N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083958
2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 172903097
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172903255
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
CID 172882109

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide (CID 172905239) is N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide is COc1ccc2c(=O)n(OC)c(C(=O)NCC3CCCCC3)cc2c1.
What is the InChIKey of N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide?
The InChIKey is YIDQHYGJSFDDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-24-15-8-9-16-14(10-15)11-17(21(25-2)19(16)23)18(22)20-12-13-6-4-3-5-7-13/h8-11,13H,3-7,12H2,1-2H3,(H,20,22).
What are the key properties of N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide?
N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172905239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).