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

C87H70ClF12N21O13 — CID 158104396

IUPAC6-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
SMILESC1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cnc3N3CCOCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cnc3On3nnc4cccnc43)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cnc3On3nnc4cccnc43)cc12.O=C(O)c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/2C22H14F3N7O3.C21H19F3N4O3.C10H10N2O.C7H3ClF3NO2.C5H10O/c2*1-11-7-18(33)29-16-5-4-13(9-14(11)16)28-20(34)15-8-12(22(23,24)25)10-27-21(15)35-32-19-17(30-31-32)3-2-6-26-19;1-12-8-18(29)27-17-3-2-14(10-15(12)17)26-20(30)16-9-13(21(22,23)24)11-25-19(16)28-4-6-31-7-5-28;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;8-5-4(6(13)14)1-3(2-12-5)7(9,10)11;1-2-4-6-5-3-1/h2*2-10H,1H3,(H,28,34)(H,29,33);2-3,8-11H,4-7H2,1H3,(H,26,30)(H,27,29);2-5H,11H2,1H3,(H,12,13);1-2H,(H,13,14);1-5H2
InChIKeyFPQSAWNNCXYKTI-UHFFFAOYSA-N
MW1881.08 g/mol
LogP15.37
Rot. Bonds12

About 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

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 (PubChem CID 158104396) has the molecular formula C87H70ClF12N21O13 and a molecular weight of 1881.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID158104396
Molecular FormulaC87H70ClF12N21O13
Molecular Weight1881.08 g/mol
Exact Mass1879.50
IUPAC Name6-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
SMILESC1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cnc3N3CCOCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cnc3On3nnc4cccnc43)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cnc3On3nnc4cccnc43)cc12.O=C(O)c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/2C22H14F3N7O3.C21H19F3N4O3.C10H10N2O.C7H3ClF3NO2.C5H10O/c2*1-11-7-18(33)29-16-5-4-13(9-14(11)16)28-20(34)15-8-12(22(23,24)25)10-27-21(15)35-32-19-17(30-31-32)3-2-6-26-19;1-12-8-18(29)27-17-3-2-14(10-15(12)17)26-20(30)16-9-13(21(22,23)24)11-25-19(16)28-4-6-31-7-5-28;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;8-5-4(6(13)14)1-3(2-12-5)7(9,10)11;1-2-4-6-5-3-1/h2*2-10H,1H3,(H,28,34)(H,29,33);2-3,8-11H,4-7H2,1H3,(H,26,30)(H,27,29);2-5H,11H2,1H3,(H,12,13);1-2H,(H,13,14);1-5H2
InChIKeyFPQSAWNNCXYKTI-UHFFFAOYSA-N
XLogP15.37
TPSA460.98 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001881.08
LogP ≤ 515.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51324941
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 118695192
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
ethyl 1-[4-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 31971380
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cnc3N3CCOCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cnc3On3nnc4cccnc43)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cnc3On3nnc4cccnc43)cc12.O=C(O)c1cc(C(F)(F)F)cnc1Cl.
What is the InChIKey of 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?
The InChIKey is FPQSAWNNCXYKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H14F3N7O3.C21H19F3N4O3.C10H10N2O.C7H3ClF3NO2.C5H10O/c2*1-11-7-18(33)29-16-5-4-13(9-14(11)16)28-20(34)15-8-12(22(23,24)25)10-27-21(15)35-32-19-17(30-31-32)3-2-6-26-19;1-12-8-18(29)27-17-3-2-14(10-15(12)17)26-20(30)16-9-13(21(22,23)24)11-25-19(16)28-4-6-31-7-5-28;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;8-5-4(6(13)14)1-3(2-12-5)7(9,10)11;1-2-4-6-5-3-1/h2*2-10H,1H3,(H,28,34)(H,29,33);2-3,8-11H,4-7H2,1H3,(H,26,30)(H,27,29);2-5H,11H2,1H3,(H,12,13);1-2H,(H,13,14);1-5H2.
What are the key properties of 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?
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 has a molecular weight of 1881.08 g/mol, XLogP of 15.37, 12 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158104396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).