N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

C19H28N2O — CID 43823060

IUPACN-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC1CC(C(=O)NC2CCCCCCC2)c2ccccc2N1
InChIInChI=1S/C19H28N2O/c1-14-13-17(16-11-7-8-12-18(16)20-14)19(22)21-15-9-5-3-2-4-6-10-15/h7-8,11-12,14-15,17,20H,2-6,9-10,13H2,1H3,(H,21,22)
InChIKeyIJBWCLMWQJDIRV-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.20
Rot. Bonds2

About N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 43823060) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID43823060
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC1CC(C(=O)NC2CCCCCCC2)c2ccccc2N1
InChIInChI=1S/C19H28N2O/c1-14-13-17(16-11-7-8-12-18(16)20-14)19(22)21-15-9-5-3-2-4-6-10-15/h7-8,11-12,14-15,17,20H,2-6,9-10,13H2,1H3,(H,21,22)
InChIKeyIJBWCLMWQJDIRV-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 43823060) is N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is CC1CC(C(=O)NC2CCCCCCC2)c2ccccc2N1.
What is the InChIKey of N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is IJBWCLMWQJDIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-13-17(16-11-7-8-12-18(16)20-14)19(22)21-15-9-5-3-2-4-6-10-15/h7-8,11-12,14-15,17,20H,2-6,9-10,13H2,1H3,(H,21,22).
What are the key properties of N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 43823060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).