4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine

C22H22N4OS — CID 91963356

IUPAC4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NCCc2cccs2)nc2ccccc12
InChIInChI=1S/C22H22N4OS/c1-27-20-11-5-2-7-16(20)15-24-21-18-9-3-4-10-19(18)25-22(26-21)23-13-12-17-8-6-14-28-17/h2-11,14H,12-13,15H2,1H3,(H2,23,24,25,26)
InChIKeyONCRGPDYLQGPLS-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.97
Rot. Bonds8

About 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine

4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine (PubChem CID 91963356) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
PubChem CID91963356
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NCCc2cccs2)nc2ccccc12
InChIInChI=1S/C22H22N4OS/c1-27-20-11-5-2-7-16(20)15-24-21-18-9-3-4-10-19(18)25-22(26-21)23-13-12-17-8-6-14-28-17/h2-11,14H,12-13,15H2,1H3,(H2,23,24,25,26)
InChIKeyONCRGPDYLQGPLS-UHFFFAOYSA-N
XLogP4.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine with MolForge

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Related Compounds

2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963642
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963375
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
2-N-(2,4-dimethoxyphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963577
4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 91963294
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 91963240

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine (CID 91963356) is 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine is COc1ccccc1CNc1nc(NCCc2cccs2)nc2ccccc12.
What is the InChIKey of 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine?
The InChIKey is ONCRGPDYLQGPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-27-20-11-5-2-7-16(20)15-24-21-18-9-3-4-10-19(18)25-22(26-21)23-13-12-17-8-6-14-28-17/h2-11,14H,12-13,15H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine?
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine has a molecular weight of 390.51 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).