4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine

C22H24N6O — CID 164614612

IUPAC4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine
SMILESCCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(OC)c23)n[nH]1
InChIInChI=1S/C22H24N6O/c1-3-16-14-19(28-27-16)25-21-20-17(10-7-11-18(20)29-2)24-22(26-21)23-13-12-15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyAUJIZOUNDSPWQU-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.32
Rot. Bonds8

About 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine

4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine (PubChem CID 164614612) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine
PubChem CID164614612
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine
SMILESCCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(OC)c23)n[nH]1
InChIInChI=1S/C22H24N6O/c1-3-16-14-19(28-27-16)25-21-20-17(10-7-11-18(20)29-2)24-22(26-21)23-13-12-15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyAUJIZOUNDSPWQU-UHFFFAOYSA-N
XLogP4.32
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine (CID 164614612) is 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine is CCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(OC)c23)n[nH]1.
What is the InChIKey of 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The InChIKey is AUJIZOUNDSPWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-3-16-14-19(28-27-16)25-21-20-17(10-7-11-18(20)29-2)24-22(26-21)23-13-12-15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3,(H3,23,24,25,26,27,28).
What are the key properties of 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine has a molecular weight of 388.48 g/mol, XLogP of 4.32, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxy-2-N-(2-phenylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 164614612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).