6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide

C23H28N4O3 — CID 71940676

IUPAC6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)NC(C)c3ccc4c(c3)CCC(=O)N4)cn2)CC(C)O1
InChIInChI=1S/C23H28N4O3/c1-14-12-27(13-15(2)30-14)21-8-5-19(11-24-21)23(29)25-16(3)17-4-7-20-18(10-17)6-9-22(28)26-20/h4-5,7-8,10-11,14-16H,6,9,12-13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyFIGLAKYEJXNVDY-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.07
Rot. Bonds4

About 6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide

6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide (PubChem CID 71940676) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
PubChem CID71940676
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)NC(C)c3ccc4c(c3)CCC(=O)N4)cn2)CC(C)O1
InChIInChI=1S/C23H28N4O3/c1-14-12-27(13-15(2)30-14)21-8-5-19(11-24-21)23(29)25-16(3)17-4-7-20-18(10-17)6-9-22(28)26-20/h4-5,7-8,10-11,14-16H,6,9,12-13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyFIGLAKYEJXNVDY-UHFFFAOYSA-N
XLogP3.07
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide (CID 71940676) is 6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide is CC1CN(c2ccc(C(=O)NC(C)c3ccc4c(c3)CCC(=O)N4)cn2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is FIGLAKYEJXNVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-14-12-27(13-15(2)30-14)21-8-5-19(11-24-21)23(29)25-16(3)17-4-7-20-18(10-17)6-9-22(28)26-20/h4-5,7-8,10-11,14-16H,6,9,12-13H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide?
6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71940676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).