4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine

C19H22N6 — CID 139949966

IUPAC4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine
SMILESCN1CCN(c2ccccc2-c2nc(N)nc3cc(N)ccc23)CC1
InChIInChI=1S/C19H22N6/c1-24-8-10-25(11-9-24)17-5-3-2-4-15(17)18-14-7-6-13(20)12-16(14)22-19(21)23-18/h2-7,12H,8-11,20H2,1H3,(H2,21,22,23)
InChIKeyIFYGBLPLGDTSSL-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.21
Rot. Bonds2

About 4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine

4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine (PubChem CID 139949966) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine
PubChem CID139949966
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine
SMILESCN1CCN(c2ccccc2-c2nc(N)nc3cc(N)ccc23)CC1
InChIInChI=1S/C19H22N6/c1-24-8-10-25(11-9-24)17-5-3-2-4-15(17)18-14-7-6-13(20)12-16(14)22-19(21)23-18/h2-7,12H,8-11,20H2,1H3,(H2,21,22,23)
InChIKeyIFYGBLPLGDTSSL-UHFFFAOYSA-N
XLogP2.21
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine (CID 139949966) is 4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine is CN1CCN(c2ccccc2-c2nc(N)nc3cc(N)ccc23)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine?
The InChIKey is IFYGBLPLGDTSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-24-8-10-25(11-9-24)17-5-3-2-4-15(17)18-14-7-6-13(20)12-16(14)22-19(21)23-18/h2-7,12H,8-11,20H2,1H3,(H2,21,22,23).
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine?
4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine has a molecular weight of 334.43 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,7-diamine is sourced from PubChem (CID 139949966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).