2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

C20H16Cl2N4S — CID 91963629

IUPAC2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESClc1ccc(CNc2nc(NCc3cccs3)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C20H16Cl2N4S/c21-14-8-7-13(17(22)10-14)11-24-20-25-18-6-2-1-5-16(18)19(26-20)23-12-15-4-3-9-27-15/h1-10H,11-12H2,(H2,23,24,25,26)
InChIKeyYXTHQMLOKWJKRK-UHFFFAOYSA-N
MW415.35 g/mol
LogP6.22
Rot. Bonds6

About 2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 91963629) has the molecular formula C20H16Cl2N4S and a molecular weight of 415.35 g/mol. Its IUPAC name is 2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID91963629
Molecular FormulaC20H16Cl2N4S
Molecular Weight415.35 g/mol
Exact Mass414.05
IUPAC Name2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESClc1ccc(CNc2nc(NCc3cccs3)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C20H16Cl2N4S/c21-14-8-7-13(17(22)10-14)11-24-20-25-18-6-2-1-5-16(18)19(26-20)23-12-15-4-3-9-27-15/h1-10H,11-12H2,(H2,23,24,25,26)
InChIKeyYXTHQMLOKWJKRK-UHFFFAOYSA-N
XLogP6.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.35
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963566
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963705
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
4-[[[6-chloro-2-(thiophen-2-ylmethylamino)quinazolin-4-yl]amino]methyl]benzoic acid
CID 70037881
2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963526
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963642
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963356

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (CID 91963629) is 2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is Clc1ccc(CNc2nc(NCc3cccs3)c3ccccc3n2)c(Cl)c1.
What is the InChIKey of 2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is YXTHQMLOKWJKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4S/c21-14-8-7-13(17(22)10-14)11-24-20-25-18-6-2-1-5-16(18)19(26-20)23-12-15-4-3-9-27-15/h1-10H,11-12H2,(H2,23,24,25,26).
What are the key properties of 2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 415.35 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).