2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

C19H14Cl2N4S — CID 91963566

IUPAC2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESClc1ccc(Cl)c(Nc2nc(NCc3cccs3)c3ccccc3n2)c1
InChIInChI=1S/C19H14Cl2N4S/c20-12-7-8-15(21)17(10-12)24-19-23-16-6-2-1-5-14(16)18(25-19)22-11-13-4-3-9-26-13/h1-10H,11H2,(H2,22,23,24,25)
InChIKeyXVISXLQFFKOSGI-UHFFFAOYSA-N
MW401.32 g/mol
LogP6.35
Rot. Bonds5

About 2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 91963566) has the molecular formula C19H14Cl2N4S and a molecular weight of 401.32 g/mol. Its IUPAC name is 2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID91963566
Molecular FormulaC19H14Cl2N4S
Molecular Weight401.32 g/mol
Exact Mass400.03
IUPAC Name2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESClc1ccc(Cl)c(Nc2nc(NCc3cccs3)c3ccccc3n2)c1
InChIInChI=1S/C19H14Cl2N4S/c20-12-7-8-15(21)17(10-12)24-19-23-16-6-2-1-5-14(16)18(25-19)22-11-13-4-3-9-26-13/h1-10H,11H2,(H2,22,23,24,25)
InChIKeyXVISXLQFFKOSGI-UHFFFAOYSA-N
XLogP6.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.32
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963629
4-methyl-2-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]phenol
CID 91963559
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963526
2-N-(2,4-dimethoxyphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963577
2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963837
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-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
CID 91963552
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
2-N-(3-chloro-4-methylphenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963841

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (CID 91963566) is 2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is Clc1ccc(Cl)c(Nc2nc(NCc3cccs3)c3ccccc3n2)c1.
What is the InChIKey of 2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is XVISXLQFFKOSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4S/c20-12-7-8-15(21)17(10-12)24-19-23-16-6-2-1-5-14(16)18(25-19)22-11-13-4-3-9-26-13/h1-10H,11H2,(H2,22,23,24,25).
What are the key properties of 2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 401.32 g/mol, XLogP of 6.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).