N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide

C20H26N2O4 — CID 15997545

IUPACN-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1cc2c(C(=O)N(C)C3CCCCC3)cn(C)c(=O)c2cc1OC
InChIInChI=1S/C20H26N2O4/c1-21-12-16(20(24)22(2)13-8-6-5-7-9-13)14-10-17(25-3)18(26-4)11-15(14)19(21)23/h10-13H,5-9H2,1-4H3
InChIKeyQUXSVUSGGZWXAT-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.96
Rot. Bonds4

About N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide

N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 15997545) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
PubChem CID15997545
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1cc2c(C(=O)N(C)C3CCCCC3)cn(C)c(=O)c2cc1OC
InChIInChI=1S/C20H26N2O4/c1-21-12-16(20(24)22(2)13-8-6-5-7-9-13)14-10-17(25-3)18(26-4)11-15(14)19(21)23/h10-13H,5-9H2,1-4H3
InChIKeyQUXSVUSGGZWXAT-UHFFFAOYSA-N
XLogP2.96
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide (CID 15997545) is N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide is COc1cc2c(C(=O)N(C)C3CCCCC3)cn(C)c(=O)c2cc1OC.
What is the InChIKey of N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is QUXSVUSGGZWXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-21-12-16(20(24)22(2)13-8-6-5-7-9-13)14-10-17(25-3)18(26-4)11-15(14)19(21)23/h10-13H,5-9H2,1-4H3.
What are the key properties of N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 15997545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).