N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide

C22H28N4O3 — CID 26275887

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCN1CCCc2cc(CNC(=O)c3ccc(CN4CCOCC4)[nH]c3=O)ccc21
InChIInChI=1S/C22H28N4O3/c1-25-8-2-3-17-13-16(4-7-20(17)25)14-23-21(27)19-6-5-18(24-22(19)28)15-26-9-11-29-12-10-26/h4-7,13H,2-3,8-12,14-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyWUOZJGGHKMRWIE-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.52
Rot. Bonds5

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

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 26275887) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID26275887
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCN1CCCc2cc(CNC(=O)c3ccc(CN4CCOCC4)[nH]c3=O)ccc21
InChIInChI=1S/C22H28N4O3/c1-25-8-2-3-17-13-16(4-7-20(17)25)14-23-21(27)19-6-5-18(24-22(19)28)15-26-9-11-29-12-10-26/h4-7,13H,2-3,8-12,14-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyWUOZJGGHKMRWIE-UHFFFAOYSA-N
XLogP1.52
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 26275887) is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide is CN1CCCc2cc(CNC(=O)c3ccc(CN4CCOCC4)[nH]c3=O)ccc21.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WUOZJGGHKMRWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-25-8-2-3-17-13-16(4-7-20(17)25)14-23-21(27)19-6-5-18(24-22(19)28)15-26-9-11-29-12-10-26/h4-7,13H,2-3,8-12,14-15H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 26275887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).