5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide

C21H19N5O3 — CID 140820718

IUPAC5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILES[C-]#[N+]c1cnc(N2CCOCC2)c(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)c1
InChIInChI=1S/C21H19N5O3/c1-13-9-19(27)25-18-4-3-14(10-16(13)18)24-21(28)17-11-15(22-2)12-23-20(17)26-5-7-29-8-6-26/h3-4,9-12H,5-8H2,1H3,(H,24,28)(H,25,27)
InChIKeySAZQWHHOEWGVGE-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.87
Rot. Bonds3

About 5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide

5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 140820718) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID140820718
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILES[C-]#[N+]c1cnc(N2CCOCC2)c(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)c1
InChIInChI=1S/C21H19N5O3/c1-13-9-19(27)25-18-4-3-14(10-16(13)18)24-21(28)17-11-15(22-2)12-23-20(17)26-5-7-29-8-6-26/h3-4,9-12H,5-8H2,1H3,(H,24,28)(H,25,27)
InChIKeySAZQWHHOEWGVGE-UHFFFAOYSA-N
XLogP2.87
TPSA91.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-[4-(dimethylamino)piperidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 118694872
2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide
CID 118695003
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 118695192
2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 118695126
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
N-(7-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5-(1-methylpyrazol-4-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 118694909
2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
CID 118695977
2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 118695361
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 118695048
6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxamide;bis(N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(triazolo[4,5-b]pyridin-3-yloxy)-5-(trifluoromethyl)pyridine-3-carboxamide);oxane
CID 158104396
2-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide;bis(4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-2,4-dicarboxamide);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-yl-2-(2H-tetrazol-5-yl)pyridine-4-carboxamide
CID 162011393
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxamide
CID 118695105

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide (CID 140820718) is 5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide is [C-]#[N+]c1cnc(N2CCOCC2)c(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)c1.
What is the InChIKey of 5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is SAZQWHHOEWGVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-9-19(27)25-18-4-3-14(10-16(13)18)24-21(28)17-11-15(22-2)12-23-20(17)26-5-7-29-8-6-26/h3-4,9-12H,5-8H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 140820718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).