N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole

C36H24F3N5O — CID 144941096

IUPACN-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole
SMILESCNC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.c1ccc2cc(-c3n[nH]c4ccccc34)ccc2c1
InChIInChI=1S/C19H12F3N3O.C17H12N2/c1-23-19(26)10-3-2-4-14-9(10)5-6-15(25-14)12-8-24-18-11(12)7-13(20)16(21)17(18)22;1-2-6-13-11-14(10-9-12(13)5-1)17-15-7-3-4-8-16(15)18-19-17/h2-8,24H,1H3,(H,23,26);1-11H,(H,18,19)
InChIKeyRFENAJBGPQHQBP-UHFFFAOYSA-N
MW599.62 g/mol
LogP8.54
Rot. Bonds3

About N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole

N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole (PubChem CID 144941096) has the molecular formula C36H24F3N5O and a molecular weight of 599.62 g/mol. Its IUPAC name is N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole.

Molecular Properties

Compound NameN-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole
PubChem CID144941096
Molecular FormulaC36H24F3N5O
Molecular Weight599.62 g/mol
Exact Mass599.19
IUPAC NameN-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole
SMILESCNC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.c1ccc2cc(-c3n[nH]c4ccccc34)ccc2c1
InChIInChI=1S/C19H12F3N3O.C17H12N2/c1-23-19(26)10-3-2-4-14-9(10)5-6-15(25-14)12-8-24-18-11(12)7-13(20)16(21)17(18)22;1-2-6-13-11-14(10-9-12(13)5-1)17-15-7-3-4-8-16(15)18-19-17/h2-8,24H,1H3,(H,23,26);1-11H,(H,18,19)
InChIKeyRFENAJBGPQHQBP-UHFFFAOYSA-N
XLogP8.54
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.62
LogP ≤ 58.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

c-Met Inhibitor D6808
CID 165437862
6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one
CID 44593854
5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide
CID 132169624
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
5-(1~{h}-Indol-3-Ylmethyl)-1-Methyl-~{n}-(Naphthalen-1-Ylmethyl)-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridine-3-Carboxamide
CID 118933302
7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one
CID 44447876
7-[(E)-N-hydroxy-C-methylcarbonimidoyl]-19-methyl-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one
CID 44447880
2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 995079
(2-((1H-indazol-6-yl)methylamino)phenyl)(6-methyl-1H-indol-3-yl)methanone
CID 11257497
1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1-yl]-ethyl}-1H-benzo[cd]indol-2-one
CID 15646709
19-Methyl-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one
CID 16727122

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole?
The IUPAC name of N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole (CID 144941096) is N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole.
What is the SMILES notation for N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole?
The canonical SMILES for N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole is CNC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.c1ccc2cc(-c3n[nH]c4ccccc34)ccc2c1.
What is the InChIKey of N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole?
The InChIKey is RFENAJBGPQHQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O.C17H12N2/c1-23-19(26)10-3-2-4-14-9(10)5-6-15(25-14)12-8-24-18-11(12)7-13(20)16(21)17(18)22;1-2-6-13-11-14(10-9-12(13)5-1)17-15-7-3-4-8-16(15)18-19-17/h2-8,24H,1H3,(H,23,26);1-11H,(H,18,19).
What are the key properties of N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole?
N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole has a molecular weight of 599.62 g/mol, XLogP of 8.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide;3-naphthalen-2-yl-1H-indazole is sourced from PubChem (CID 144941096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).