methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate

C24H22N4O2 — CID 166898902

IUPACmethyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate
SMILESCOC(=O)c1ccc(C)c(-c2cc(C)c3nc(Nc4ccc(C)nc4)ncc3c2)c1
InChIInChI=1S/C24H22N4O2/c1-14-5-7-17(23(29)30-4)11-21(14)18-9-15(2)22-19(10-18)12-26-24(28-22)27-20-8-6-16(3)25-13-20/h5-13H,1-4H3,(H,26,27,28)
InChIKeyMYQUEPJBUBGCID-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.15
Rot. Bonds4

About methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate

methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate (PubChem CID 166898902) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate
PubChem CID166898902
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Namemethyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate
SMILESCOC(=O)c1ccc(C)c(-c2cc(C)c3nc(Nc4ccc(C)nc4)ncc3c2)c1
InChIInChI=1S/C24H22N4O2/c1-14-5-7-17(23(29)30-4)11-21(14)18-9-15(2)22-19(10-18)12-26-24(28-22)27-20-8-6-16(3)25-13-20/h5-13H,1-4H3,(H,26,27,28)
InChIKeyMYQUEPJBUBGCID-UHFFFAOYSA-N
XLogP5.15
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate with MolForge

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Related Compounds

6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine
CID 166899002
methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]-5,7-dihydropyrimido[4,5-d]pyrimidin-6-yl]benzoate
CID 122648788
8-chloro-6-[2-methyl-5-(methylamino)phenyl]-N-(6-methyl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 166658139
N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide
CID 159598784
methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate
CID 24829474
4-[(8-methylquinazolin-2-yl)amino]benzoic acid
CID 150737082
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea
CID 154686718
methyl 3,4-bis[2-[(1-cyclohexylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]benzoate
CID 175147638
methyl 4-methyl-3-(4-methyl-1H-pyrazol-5-yl)benzoate
CID 155312908
methyl 4-[[2-(3-chloro-4-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109269197
methyl 4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate;hydrochloride
CID 44636003

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate?
The IUPAC name of methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate (CID 166898902) is methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate?
The canonical SMILES for methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate is COC(=O)c1ccc(C)c(-c2cc(C)c3nc(Nc4ccc(C)nc4)ncc3c2)c1.
What is the InChIKey of methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate?
The InChIKey is MYQUEPJBUBGCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-14-5-7-17(23(29)30-4)11-21(14)18-9-15(2)22-19(10-18)12-26-24(28-22)27-20-8-6-16(3)25-13-20/h5-13H,1-4H3,(H,26,27,28).
What are the key properties of methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate?
methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate has a molecular weight of 398.47 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate is sourced from PubChem (CID 166898902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).