methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate

C23H19N3O2 — CID 1187533

IUPACmethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C23H19N3O2/c1-15-7-9-16(10-8-15)21-25-20-6-4-3-5-19(20)22(26-21)24-18-13-11-17(12-14-18)23(27)28-2/h3-14H,1-2H3,(H,24,25,26)
InChIKeyJUUUPECORDQKJR-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.14
Rot. Bonds4

About methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate

methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate (PubChem CID 1187533) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
PubChem CID1187533
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Namemethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C23H19N3O2/c1-15-7-9-16(10-8-15)21-25-20-6-4-3-5-19(20)22(26-21)24-18-13-11-17(12-14-18)23(27)28-2/h3-14H,1-2H3,(H,24,25,26)
InChIKeyJUUUPECORDQKJR-UHFFFAOYSA-N
XLogP5.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
ethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 23935083
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
methyl 3-[[4-(4-methylanilino)quinazolin-2-yl]amino]benzoate
CID 71690613
N-(4-methylphenyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187236
methyl 4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]benzoate
CID 71690791
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine
CID 132500565
2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
CID 22330512

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate (CID 1187533) is methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate is COC(=O)c1ccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1.
What is the InChIKey of methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate?
The InChIKey is JUUUPECORDQKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-7-9-16(10-8-15)21-25-20-6-4-3-5-19(20)22(26-21)24-18-13-11-17(12-14-18)23(27)28-2/h3-14H,1-2H3,(H,24,25,26).
What are the key properties of methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate?
methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate has a molecular weight of 369.42 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate is sourced from PubChem (CID 1187533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).