N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide

C18H24N2O3 — CID 155956326

IUPACN-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide
SMILESCOCC1CCC(NC(=O)c2ccc3c(c2)CCNC3=O)CC1
InChIInChI=1S/C18H24N2O3/c1-23-11-12-2-5-15(6-3-12)20-17(21)14-4-7-16-13(10-14)8-9-19-18(16)22/h4,7,10,12,15H,2-3,5-6,8-9,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyFGOLQLVGKOQINK-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.91
Rot. Bonds4

About N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide

N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide (PubChem CID 155956326) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide
PubChem CID155956326
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide
SMILESCOCC1CCC(NC(=O)c2ccc3c(c2)CCNC3=O)CC1
InChIInChI=1S/C18H24N2O3/c1-23-11-12-2-5-15(6-3-12)20-17(21)14-4-7-16-13(10-14)8-9-19-18(16)22/h4,7,10,12,15H,2-3,5-6,8-9,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyFGOLQLVGKOQINK-UHFFFAOYSA-N
XLogP1.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide?
The IUPAC name of N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide (CID 155956326) is N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide.
What is the SMILES notation for N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide?
The canonical SMILES for N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide is COCC1CCC(NC(=O)c2ccc3c(c2)CCNC3=O)CC1.
What is the InChIKey of N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide?
The InChIKey is FGOLQLVGKOQINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-11-12-2-5-15(6-3-12)20-17(21)14-4-7-16-13(10-14)8-9-19-18(16)22/h4,7,10,12,15H,2-3,5-6,8-9,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide?
N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)cyclohexyl]-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide is sourced from PubChem (CID 155956326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).