2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate

C43H32F2N8O4 — CID 163805027

IUPAC2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3ncnc(C)c3c2)c(-c2ccc(F)cc2)nc1N.Cc1ncnc2ccc(-c3cc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C22H17FN4O2.C21H15FN4O2/c1-12-16-9-14(5-8-19(16)26-11-25-12)17-10-18(22(28)29-2)21(24)27-20(17)13-3-6-15(23)7-4-13;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21(27)28)20(23)26-19(16)12-2-5-14(22)6-3-12/h3-11H,1-2H3,(H2,24,27);2-10H,1H3,(H2,23,26)(H,27,28)
InChIKeyNIHJUCUIXDBIBE-UHFFFAOYSA-N
MW762.78 g/mol
LogP8.26
Rot. Bonds6

About 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate

2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate (PubChem CID 163805027) has the molecular formula C43H32F2N8O4 and a molecular weight of 762.78 g/mol. Its IUPAC name is 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Name2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate
PubChem CID163805027
Molecular FormulaC43H32F2N8O4
Molecular Weight762.78 g/mol
Exact Mass762.25
IUPAC Name2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3ncnc(C)c3c2)c(-c2ccc(F)cc2)nc1N.Cc1ncnc2ccc(-c3cc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C22H17FN4O2.C21H15FN4O2/c1-12-16-9-14(5-8-19(16)26-11-25-12)17-10-18(22(28)29-2)21(24)27-20(17)13-3-6-15(23)7-4-13;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21(27)28)20(23)26-19(16)12-2-5-14(22)6-3-12/h3-11H,1-2H3,(H2,24,27);2-10H,1H3,(H2,23,26)(H,27,28)
InChIKeyNIHJUCUIXDBIBE-UHFFFAOYSA-N
XLogP8.26
TPSA192.98 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.78
LogP ≤ 58.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate with MolForge

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Related Compounds

2-amino-N-methyl-6-(4-methylphenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxamide
CID 163856291
1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 154971356
5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine
CID 166811940
methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate
CID 155209194
methyl 2-amino-6-fluoroquinoline-4-carboxylate
CID 84623443
methyl 4-amino-2-(4-fluorophenyl)benzoate
CID 18476027
4-methylquinazoline-6-carboxylic acid
CID 84661394
methyl 4-amino-6-phenylquinoline-3-carboxylate
CID 102614814
methyl 2-(2,4-diaminoquinazolin-6-yl)-3-phenylbenzoate
CID 91440929
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 68941385
2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 53430507

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate?
The IUPAC name of 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate (CID 163805027) is 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate.
What is the SMILES notation for 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate?
The canonical SMILES for 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate is COC(=O)c1cc(-c2ccc3ncnc(C)c3c2)c(-c2ccc(F)cc2)nc1N.Cc1ncnc2ccc(-c3cc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate?
The InChIKey is NIHJUCUIXDBIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2.C21H15FN4O2/c1-12-16-9-14(5-8-19(16)26-11-25-12)17-10-18(22(28)29-2)21(24)27-20(17)13-3-6-15(23)7-4-13;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21(27)28)20(23)26-19(16)12-2-5-14(22)6-3-12/h3-11H,1-2H3,(H2,24,27);2-10H,1H3,(H2,23,26)(H,27,28).
What are the key properties of 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate?
2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate has a molecular weight of 762.78 g/mol, XLogP of 8.26, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate is sourced from PubChem (CID 163805027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).