2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide

C24H31N3O2 — CID 71143292

IUPAC2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC1CN(c2cccc(C3Nc4ccc(C(N)=O)cc4CC3(C)C)c2)CC(C)O1
InChIInChI=1S/C24H31N3O2/c1-15-13-27(14-16(2)29-15)20-7-5-6-17(11-20)22-24(3,4)12-19-10-18(23(25)28)8-9-21(19)26-22/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,25,28)
InChIKeyLJPGPGPMRITZNF-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.13
Rot. Bonds3

About 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide

2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 71143292) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID71143292
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC1CN(c2cccc(C3Nc4ccc(C(N)=O)cc4CC3(C)C)c2)CC(C)O1
InChIInChI=1S/C24H31N3O2/c1-15-13-27(14-16(2)29-15)20-7-5-6-17(11-20)22-24(3,4)12-19-10-18(23(25)28)8-9-21(19)26-22/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,25,28)
InChIKeyLJPGPGPMRITZNF-UHFFFAOYSA-N
XLogP4.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide (CID 71143292) is 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide is CC1CN(c2cccc(C3Nc4ccc(C(N)=O)cc4CC3(C)C)c2)CC(C)O1.
What is the InChIKey of 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is LJPGPGPMRITZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-15-13-27(14-16(2)29-15)20-7-5-6-17(11-20)22-24(3,4)12-19-10-18(23(25)28)8-9-21(19)26-22/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,25,28).
What are the key properties of 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide?
2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 71143292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).