6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid

C18H15F3N4O3 — CID 178097734

IUPAC6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid
SMILESCc1nc2cc(C(F)(F)F)c(CNc3ccc(C(=O)O)nc3C)cc2c(=O)[nH]1
InChIInChI=1S/C18H15F3N4O3/c1-8-13(3-4-14(23-8)17(27)28)22-7-10-5-11-15(6-12(10)18(19,20)21)24-9(2)25-16(11)26/h3-6,22H,7H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyUBFPKQLJNSKVCK-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.26
Rot. Bonds4

About 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid

6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid (PubChem CID 178097734) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid
PubChem CID178097734
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid
SMILESCc1nc2cc(C(F)(F)F)c(CNc3ccc(C(=O)O)nc3C)cc2c(=O)[nH]1
InChIInChI=1S/C18H15F3N4O3/c1-8-13(3-4-14(23-8)17(27)28)22-7-10-5-11-15(6-12(10)18(19,20)21)24-9(2)25-16(11)26/h3-6,22H,7H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyUBFPKQLJNSKVCK-UHFFFAOYSA-N
XLogP3.26
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-6-[[4-[1-(2-methylpiperazin-1-yl)ethenyl]anilino]methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097456
methyl (3S)-1-[4-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]benzoyl]piperidine-3-carboxylate
CID 178097724
5-[[2,3-dimethyl-4-oxo-7-(trifluoromethyl)quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid
CID 178097612
6-[[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097712
methyl 6-cyclopropyl-5-[[(1R)-1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]ethyl]amino]pyridine-2-carboxylate
CID 178097250
6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097284
methyl 3-fluoro-4-[[(1S)-1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]propyl]amino]benzoate
CID 178097737
5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid
CID 12640232
tert-butyl 4-[[(1S)-1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]ethyl]amino]benzoate
CID 178098058
tert-butyl 4-[(1R)-1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]propoxy]benzoate
CID 178098043
methyl 4-fluoro-5-[[(1S)-1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]ethyl]amino]pyridine-2-carboxylate
CID 178097850
6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097511

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid (CID 178097734) is 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid is Cc1nc2cc(C(F)(F)F)c(CNc3ccc(C(=O)O)nc3C)cc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is UBFPKQLJNSKVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-8-13(3-4-14(23-8)17(27)28)22-7-10-5-11-15(6-12(10)18(19,20)21)24-9(2)25-16(11)26/h3-6,22H,7H2,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid?
6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 392.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 178097734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).