N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H29N3O3 — CID 134026774

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)C2CC(=O)Nc3ccccc32)CC(C)O1
InChIInChI=1S/C20H29N3O3/c1-13-10-23(11-14(2)26-13)20(3,4)12-21-19(25)16-9-18(24)22-17-8-6-5-7-15(16)17/h5-8,13-14,16H,9-12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyADWZKWDHQNNTRZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 134026774) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID134026774
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)C2CC(=O)Nc3ccccc32)CC(C)O1
InChIInChI=1S/C20H29N3O3/c1-13-10-23(11-14(2)26-13)20(3,4)12-21-19(25)16-9-18(24)22-17-8-6-5-7-15(16)17/h5-8,13-14,16H,9-12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyADWZKWDHQNNTRZ-UHFFFAOYSA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 134026774) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC1CN(C(C)(C)CNC(=O)C2CC(=O)Nc3ccccc32)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ADWZKWDHQNNTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13-10-23(11-14(2)26-13)20(3,4)12-21-19(25)16-9-18(24)22-17-8-6-5-7-15(16)17/h5-8,13-14,16H,9-12H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 134026774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).