methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate

C22H17N3O2 — CID 1183964

IUPACmethyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H17N3O2/c1-27-22(26)16-11-13-17(14-12-16)23-21-18-9-5-6-10-19(18)24-20(25-21)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,24,25)
InChIKeyYNJLEXNLBZQNTP-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.83
Rot. Bonds4

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

methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate (PubChem CID 1183964) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
PubChem CID1183964
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Namemethyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H17N3O2/c1-27-22(26)16-11-13-17(14-12-16)23-21-18-9-5-6-10-19(18)24-20(25-21)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,24,25)
InChIKeyYNJLEXNLBZQNTP-UHFFFAOYSA-N
XLogP4.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 1187533
ethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 23935083
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
2-[[2-(4-methoxycarbonylanilino)quinazolin-4-yl]amino]acetic acid
CID 91963954
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid;hydrochloride
CID 2894714
N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine
CID 133398069
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate?
The IUPAC name of methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate (CID 1183964) is methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate is COC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate?
The InChIKey is YNJLEXNLBZQNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-22(26)16-11-13-17(14-12-16)23-21-18-9-5-6-10-19(18)24-20(25-21)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,24,25).
What are the key properties of methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate?
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate has a molecular weight of 355.40 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate is sourced from PubChem (CID 1183964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).