2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol

C20H17N3O3 — CID 661722

IUPAC2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol
SMILESCOc1cccc(-c2nc(NCc3ccco3)c3ccccc3n2)c1O
InChIInChI=1S/C20H17N3O3/c1-25-17-10-4-8-15(18(17)24)20-22-16-9-3-2-7-14(16)19(23-20)21-12-13-6-5-11-26-13/h2-11,24H,12H2,1H3,(H,21,22,23)
InChIKeyGZVMTDFIJBFBTI-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.22
Rot. Bonds5

About 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol

2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol (PubChem CID 661722) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol
PubChem CID661722
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol
SMILESCOc1cccc(-c2nc(NCc3ccco3)c3ccccc3n2)c1O
InChIInChI=1S/C20H17N3O3/c1-25-17-10-4-8-15(18(17)24)20-22-16-9-3-2-7-14(16)19(23-20)21-12-13-6-5-11-26-13/h2-11,24H,12H2,1H3,(H,21,22,23)
InChIKeyGZVMTDFIJBFBTI-UHFFFAOYSA-N
XLogP4.22
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol with MolForge

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Related Compounds

2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol
CID 662767
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
CID 11689305
2-methoxy-6-[4-(2-methylphenoxy)quinazolin-2-yl]phenol
CID 3347053
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 696673
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
CID 171562086
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
4-fluoro-N-[4-[[[2-(furan-2-ylmethylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 68940813
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
CID 91964296
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol?
The IUPAC name of 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol (CID 661722) is 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol.
What is the SMILES notation for 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol?
The canonical SMILES for 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol is COc1cccc(-c2nc(NCc3ccco3)c3ccccc3n2)c1O.
What is the InChIKey of 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol?
The InChIKey is GZVMTDFIJBFBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-17-10-4-8-15(18(17)24)20-22-16-9-3-2-7-14(16)19(23-20)21-12-13-6-5-11-26-13/h2-11,24H,12H2,1H3,(H,21,22,23).
What are the key properties of 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol?
2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol has a molecular weight of 347.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol is sourced from PubChem (CID 661722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).