6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine

C21H25N5O — CID 140543218

IUPAC6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
SMILESCCOc1cccc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)c1
InChIInChI=1S/C21H25N5O/c1-3-27-19-6-4-5-16(14-19)17-7-8-20-18(13-17)15-22-21(23-20)24-26-11-9-25(2)10-12-26/h4-8,13-15H,3,9-12H2,1-2H3,(H,22,23,24)
InChIKeyNQFIYLXOPKZPAY-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.27
Rot. Bonds5

About 6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine

6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine (PubChem CID 140543218) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
PubChem CID140543218
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
SMILESCCOc1cccc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)c1
InChIInChI=1S/C21H25N5O/c1-3-27-19-6-4-5-16(14-19)17-7-8-20-18(13-17)15-22-21(23-20)24-26-11-9-25(2)10-12-26/h4-8,13-15H,3,9-12H2,1-2H3,(H,22,23,24)
InChIKeyNQFIYLXOPKZPAY-UHFFFAOYSA-N
XLogP3.27
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The IUPAC name of 6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine (CID 140543218) is 6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine.
What is the SMILES notation for 6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The canonical SMILES for 6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine is CCOc1cccc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The InChIKey is NQFIYLXOPKZPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-27-19-6-4-5-16(14-19)17-7-8-20-18(13-17)15-22-21(23-20)24-26-11-9-25(2)10-12-26/h4-8,13-15H,3,9-12H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine?
6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine is sourced from PubChem (CID 140543218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).