4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine

C22H22N4O — CID 91963709

IUPAC4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
SMILESCc1ccc(CCNc2nc(NCc3ccccc3)c3ccccc3n2)o1
InChIInChI=1S/C22H22N4O/c1-16-11-12-18(27-16)13-14-23-22-25-20-10-6-5-9-19(20)21(26-22)24-15-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H2,23,24,25,26)
InChIKeyBYSICFULLTYKFZ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.80
Rot. Bonds7

About 4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine

4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine (PubChem CID 91963709) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
PubChem CID91963709
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
SMILESCc1ccc(CCNc2nc(NCc3ccccc3)c3ccccc3n2)o1
InChIInChI=1S/C22H22N4O/c1-16-11-12-18(27-16)13-14-23-22-25-20-10-6-5-9-19(20)21(26-22)24-15-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H2,23,24,25,26)
InChIKeyBYSICFULLTYKFZ-UHFFFAOYSA-N
XLogP4.80
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
CID 91963748
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963642
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
tert-butyl N-[3-[[4-(benzylamino)quinazolin-2-yl]amino]propyl]carbamate
CID 57162552
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
CID 80813725
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine (CID 91963709) is 4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine is Cc1ccc(CCNc2nc(NCc3ccccc3)c3ccccc3n2)o1.
What is the InChIKey of 4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine?
The InChIKey is BYSICFULLTYKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-11-12-18(27-16)13-14-23-22-25-20-10-6-5-9-19(20)21(26-22)24-15-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine?
4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine has a molecular weight of 358.45 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 91963709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).