4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine

C21H20N4O2 — CID 154620273

IUPAC4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1cccc(CNc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C21H20N4O2/c1-26-16-7-4-6-15(12-16)13-23-21-24-19-10-3-2-9-18(19)20(25-21)22-14-17-8-5-11-27-17/h2-12H,13-14H2,1H3,(H2,22,23,24,25)
InChIKeyWVCMHWOTHLLRQO-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.46
Rot. Bonds7

About 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine

4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine (PubChem CID 154620273) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
PubChem CID154620273
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1cccc(CNc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C21H20N4O2/c1-26-16-7-4-6-15(12-16)13-23-21-24-19-10-3-2-9-18(19)20(25-21)22-14-17-8-5-11-27-17/h2-12H,13-14H2,1H3,(H2,22,23,24,25)
InChIKeyWVCMHWOTHLLRQO-UHFFFAOYSA-N
XLogP4.46
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine
CID 90676320
2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 69220007
methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
CID 11689305
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 768148
2-N-(3-chloro-4-methylphenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861431
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861440
2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol
CID 661722

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine (CID 154620273) is 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine is COc1cccc(CNc2nc(NCc3ccco3)c3ccccc3n2)c1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is WVCMHWOTHLLRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-16-7-4-6-15(12-16)13-23-21-24-19-10-3-2-9-18(19)20(25-21)22-14-17-8-5-11-27-17/h2-12H,13-14H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 360.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 154620273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).