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

C21H18N4O3 — CID 11689305

IUPACmethyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C21H18N4O3/c1-27-20(26)14-8-10-15(11-9-14)23-21-24-18-7-3-2-6-17(18)19(25-21)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H2,22,23,24,25)
InChIKeyNLWNHIHPTQDHSU-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.37
Rot. Bonds6

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

methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate (PubChem CID 11689305) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
PubChem CID11689305
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Namemethyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C21H18N4O3/c1-27-20(26)14-8-10-15(11-9-14)23-21-24-18-7-3-2-6-17(18)19(25-21)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H2,22,23,24,25)
InChIKeyNLWNHIHPTQDHSU-UHFFFAOYSA-N
XLogP4.37
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate with MolForge

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Related Compounds

2-[[2-(4-methoxycarbonylanilino)quinazolin-4-yl]amino]acetic acid
CID 91963954
methyl 4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]benzoate
CID 71690791
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
2-N-(3-chloro-4-methylphenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861431
methyl 4-[[2-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112889360
2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861440
4-fluoro-N-[4-[[[2-(furan-2-ylmethylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 68940813
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 52996217
4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
CID 91963552

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate (CID 11689305) is methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate is COC(=O)c1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate?
The InChIKey is NLWNHIHPTQDHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-20(26)14-8-10-15(11-9-14)23-21-24-18-7-3-2-6-17(18)19(25-21)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H2,22,23,24,25).
What are the key properties of methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate?
methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate has a molecular weight of 374.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate is sourced from PubChem (CID 11689305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).