2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine

C23H29FN6 — CID 156820994

IUPAC2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
SMILESCN1CCN(CCNc2nc(NCCc3ccc(F)cc3)nc3ccccc23)CC1
InChIInChI=1S/C23H29FN6/c1-29-14-16-30(17-15-29)13-12-25-22-20-4-2-3-5-21(20)27-23(28-22)26-11-10-18-6-8-19(24)9-7-18/h2-9H,10-17H2,1H3,(H2,25,26,27,28)
InChIKeyLDYSEJSUGAUZHM-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.08
Rot. Bonds8

About 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine

2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine (PubChem CID 156820994) has the molecular formula C23H29FN6 and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
PubChem CID156820994
Molecular FormulaC23H29FN6
Molecular Weight408.53 g/mol
Exact Mass408.24
IUPAC Name2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
SMILESCN1CCN(CCNc2nc(NCCc3ccc(F)cc3)nc3ccccc23)CC1
InChIInChI=1S/C23H29FN6/c1-29-14-16-30(17-15-29)13-12-25-22-20-4-2-3-5-21(20)27-23(28-22)26-11-10-18-6-8-19(24)9-7-18/h2-9H,10-17H2,1H3,(H2,25,26,27,28)
InChIKeyLDYSEJSUGAUZHM-UHFFFAOYSA-N
XLogP3.08
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

2-N-[2-(3,4-difluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
CID 156820921
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247
4-[[[4-[2-(4-methylpiperazin-1-yl)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 67718035
4-N-[2-(3-fluorophenyl)ethyl]-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 59148918
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
2-N-(4-methylsulfanylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
CID 12703230
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
CID 60734250
N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913799
4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride
CID 139925370
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine (CID 156820994) is 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine is CN1CCN(CCNc2nc(NCCc3ccc(F)cc3)nc3ccccc23)CC1.
What is the InChIKey of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine?
The InChIKey is LDYSEJSUGAUZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6/c1-29-14-16-30(17-15-29)13-12-25-22-20-4-2-3-5-21(20)27-23(28-22)26-11-10-18-6-8-19(24)9-7-18/h2-9H,10-17H2,1H3,(H2,25,26,27,28).
What are the key properties of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine?
2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine has a molecular weight of 408.53 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 156820994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).