4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide

C24H19F3N6O2 — CID 156547209

IUPAC4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCNC(=O)c1cnc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2C(F)(F)F)cn1
InChIInChI=1S/C24H19F3N6O2/c1-28-22(34)16-10-30-18-9-17(24(25,26)27)14(19-11-32-20(12-31-19)23(35)29-2)8-15(18)21(16)33-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,28,34)(H,29,35)(H,30,33)
InChIKeyUURCHFZOFALQMW-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.17
Rot. Bonds5

About 4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide

4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 156547209) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is 4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID156547209
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC Name4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCNC(=O)c1cnc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2C(F)(F)F)cn1
InChIInChI=1S/C24H19F3N6O2/c1-28-22(34)16-10-30-18-9-17(24(25,26)27)14(19-11-32-20(12-31-19)23(35)29-2)8-15(18)21(16)33-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,28,34)(H,29,35)(H,30,33)
InChIKeyUURCHFZOFALQMW-UHFFFAOYSA-N
XLogP4.17
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
CID 156631271
4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
CID 156547219
4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide
CID 156547134
5-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxylic acid
CID 150451439
tert-butyl 6-[[5-[4-anilino-7-methoxy-3-(methylcarbamoyl)quinolin-6-yl]pyridine-2-carbonyl]-methylamino]hexanoate
CID 157328556
6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-4-anilino-N-methyl-7-(trifluoromethyl)quinoline-3-carboxamide;4-anilino-6-[6-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-pyridinyl]-N-methyl-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid
CID 159197073
5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 146037649
4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
CID 58173125
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide
CID 156547225
2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 141455583

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide (CID 156547209) is 4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide is CNC(=O)c1cnc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2C(F)(F)F)cn1.
What is the InChIKey of 4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is UURCHFZOFALQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c1-28-22(34)16-10-30-18-9-17(24(25,26)27)14(19-11-32-20(12-31-19)23(35)29-2)8-15(18)21(16)33-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,28,34)(H,29,35)(H,30,33).
What are the key properties of 4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide?
4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 156547209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).