2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine

C20H16Cl2N4S — CID 91963837

IUPAC2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
SMILESClc1ccc(Nc2nc(NCCc3cccs3)c3ccccc3n2)cc1Cl
InChIInChI=1S/C20H16Cl2N4S/c21-16-8-7-13(12-17(16)22)24-20-25-18-6-2-1-5-15(18)19(26-20)23-10-9-14-4-3-11-27-14/h1-8,11-12H,9-10H2,(H2,23,24,25,26)
InChIKeyFNFGCHUPXKCLCV-UHFFFAOYSA-N
MW415.35 g/mol
LogP6.40
Rot. Bonds6

About 2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine

2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine (PubChem CID 91963837) has the molecular formula C20H16Cl2N4S and a molecular weight of 415.35 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
PubChem CID91963837
Molecular FormulaC20H16Cl2N4S
Molecular Weight415.35 g/mol
Exact Mass414.05
IUPAC Name2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
SMILESClc1ccc(Nc2nc(NCCc3cccs3)c3ccccc3n2)cc1Cl
InChIInChI=1S/C20H16Cl2N4S/c21-16-8-7-13(12-17(16)22)24-20-25-18-6-2-1-5-15(18)19(26-20)23-10-9-14-4-3-11-27-14/h1-8,11-12H,9-10H2,(H2,23,24,25,26)
InChIKeyFNFGCHUPXKCLCV-UHFFFAOYSA-N
XLogP6.40
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 ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chloro-4-methylphenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963841
2-N-(1,3-benzodioxol-5-yl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963850
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963566
2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
CID 91964585
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963526
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964049
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963356
4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
CID 91963552
2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963629

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine (CID 91963837) is 2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine is Clc1ccc(Nc2nc(NCCc3cccs3)c3ccccc3n2)cc1Cl.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine?
The InChIKey is FNFGCHUPXKCLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4S/c21-16-8-7-13(12-17(16)22)24-20-25-18-6-2-1-5-15(18)19(26-20)23-10-9-14-4-3-11-27-14/h1-8,11-12H,9-10H2,(H2,23,24,25,26).
What are the key properties of 2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine?
2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine has a molecular weight of 415.35 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).