2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide

C27H33N5O5 — CID 118695235

IUPAC2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(CN4CCOCC4)cnc3N3CC(CO)OCC3C)cc12
InChIInChI=1S/C27H33N5O5/c1-17-9-25(34)30-24-4-3-20(11-22(17)24)29-27(35)23-10-19(13-31-5-7-36-8-6-31)12-28-26(23)32-14-21(15-33)37-16-18(32)2/h3-4,9-12,18,21,33H,5-8,13-16H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyGGZDBGNFUBEEHV-UHFFFAOYSA-N
MW507.59 g/mol
LogP1.90
Rot. Bonds6

About 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 118695235) has the molecular formula C27H33N5O5 and a molecular weight of 507.59 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID118695235
Molecular FormulaC27H33N5O5
Molecular Weight507.59 g/mol
Exact Mass507.25
IUPAC Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(CN4CCOCC4)cnc3N3CC(CO)OCC3C)cc12
InChIInChI=1S/C27H33N5O5/c1-17-9-25(34)30-24-4-3-20(11-22(17)24)29-27(35)23-10-19(13-31-5-7-36-8-6-31)12-28-26(23)32-14-21(15-33)37-16-18(32)2/h3-4,9-12,18,21,33H,5-8,13-16H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyGGZDBGNFUBEEHV-UHFFFAOYSA-N
XLogP1.90
TPSA120.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide
CID 118695003
2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 118695126
5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 140820718
5-[4-(dimethylamino)piperidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 118694872
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide
CID 118695105
2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
CID 118695977
tert-butyl 4-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)carbamoyl]-2-pyridinyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxylate
CID 118694983
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 118695192
2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 118695361
5-[[2-hydroxyethyl(methyl)amino]methyl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylbenzamide
CID 118695250
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide
CID 59258676
5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 81439891

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide (CID 118695235) is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(CN4CCOCC4)cnc3N3CC(CO)OCC3C)cc12.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GGZDBGNFUBEEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O5/c1-17-9-25(34)30-24-4-3-20(11-22(17)24)29-27(35)23-10-19(13-31-5-7-36-8-6-31)12-28-26(23)32-14-21(15-33)37-16-18(32)2/h3-4,9-12,18,21,33H,5-8,13-16H2,1-2H3,(H,29,35)(H,30,34).
What are the key properties of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide?
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118695235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).