8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine

C23H24FN5S — CID 142474253

IUPAC8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(NC(C)c3cccs3)c3cccc(CCN)c3n2)ccc1F
InChIInChI=1S/C23H24FN5S/c1-14-13-17(8-9-19(14)24)27-23-28-21-16(10-11-25)5-3-6-18(21)22(29-23)26-15(2)20-7-4-12-30-20/h3-9,12-13,15H,10-11,25H2,1-2H3,(H2,26,27,28,29)
InChIKeyUJZQIYCNQGIVEU-UHFFFAOYSA-N
MW421.55 g/mol
LogP5.56
Rot. Bonds7

About 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine

8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine (PubChem CID 142474253) has the molecular formula C23H24FN5S and a molecular weight of 421.55 g/mol. Its IUPAC name is 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine
PubChem CID142474253
Molecular FormulaC23H24FN5S
Molecular Weight421.55 g/mol
Exact Mass421.17
IUPAC Name8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(NC(C)c3cccs3)c3cccc(CCN)c3n2)ccc1F
InChIInChI=1S/C23H24FN5S/c1-14-13-17(8-9-19(14)24)27-23-28-21-16(10-11-25)5-3-6-18(21)22(29-23)26-15(2)20-7-4-12-30-20/h3-9,12-13,15H,10-11,25H2,1-2H3,(H2,26,27,28,29)
InChIKeyUJZQIYCNQGIVEU-UHFFFAOYSA-N
XLogP5.56
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine with MolForge

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Related Compounds

N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3235425
Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
N-tert-butyl-6-(thiophen-3-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330918
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methylquinazolin-4-amine
CID 155818534
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
2-(2-Methylphenylamino)-4-(N-methylphenylamino)thieno[3.2-d]pyrimidine
CID 10066220
N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[2,3-d]pyrimidine-2,4-diamine
CID 10361417
N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 10406472
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-N'-(thien-2-ylmethyl)thiourea
CID 16193160
4-(4-Methylpiperazin-1-yl)-7-thiophen-3-ylquinazolin-2-amine
CID 49841846
N,N-dimethyl-N''-(2-{(E)-2-[4-(methylthio)phenyl]vinyl}quinazolin-4-yl)ethane-1,2-diamine
CID 121453044

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine?
The IUPAC name of 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine (CID 142474253) is 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine is Cc1cc(Nc2nc(NC(C)c3cccs3)c3cccc(CCN)c3n2)ccc1F.
What is the InChIKey of 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine?
The InChIKey is UJZQIYCNQGIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5S/c1-14-13-17(8-9-19(14)24)27-23-28-21-16(10-11-25)5-3-6-18(21)22(29-23)26-15(2)20-7-4-12-30-20/h3-9,12-13,15H,10-11,25H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine?
8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine has a molecular weight of 421.55 g/mol, XLogP of 5.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 142474253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).