4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine

C19H24N6 — CID 138654667

IUPAC4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine
SMILESCN1CCN(c2ccc3c(c2)NC(c2ccc(N)c(N)c2)=NC3)CC1
InChIInChI=1S/C19H24N6/c1-24-6-8-25(9-7-24)15-4-2-14-12-22-19(23-18(14)11-15)13-3-5-16(20)17(21)10-13/h2-5,10-11H,6-9,12,20-21H2,1H3,(H,22,23)
InChIKeyWNEXAWJUKKHRJE-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.98
Rot. Bonds2

About 4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine

4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine (PubChem CID 138654667) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine
PubChem CID138654667
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine
SMILESCN1CCN(c2ccc3c(c2)NC(c2ccc(N)c(N)c2)=NC3)CC1
InChIInChI=1S/C19H24N6/c1-24-6-8-25(9-7-24)15-4-2-14-12-22-19(23-18(14)11-15)13-3-5-16(20)17(21)10-13/h2-5,10-11H,6-9,12,20-21H2,1H3,(H,22,23)
InChIKeyWNEXAWJUKKHRJE-UHFFFAOYSA-N
XLogP1.98
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.98
H-Bond Donors ≤ 53
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-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine?
The IUPAC name of 4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine (CID 138654667) is 4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine.
What is the SMILES notation for 4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine?
The canonical SMILES for 4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine is CN1CCN(c2ccc3c(c2)NC(c2ccc(N)c(N)c2)=NC3)CC1.
What is the InChIKey of 4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine?
The InChIKey is WNEXAWJUKKHRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-24-6-8-25(9-7-24)15-4-2-14-12-22-19(23-18(14)11-15)13-3-5-16(20)17(21)10-13/h2-5,10-11H,6-9,12,20-21H2,1H3,(H,22,23).
What are the key properties of 4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine?
4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine has a molecular weight of 336.44 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]benzene-1,2-diamine is sourced from PubChem (CID 138654667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).