N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine

C26H35N7 — CID 140543119

IUPACN-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine
SMILESCC(C)N1CCN(c2ccc(-c3ccc4nc(NN5CCN(C)CC5)ncc4c3)cc2)CC1
InChIInChI=1S/C26H35N7/c1-20(2)31-12-14-32(15-13-31)24-7-4-21(5-8-24)22-6-9-25-23(18-22)19-27-26(28-25)29-33-16-10-30(3)11-17-33/h4-9,18-20H,10-17H2,1-3H3,(H,27,28,29)
InChIKeyACNXDAYBCYWWDR-UHFFFAOYSA-N
MW445.62 g/mol
LogP3.40
Rot. Bonds5

About N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine

N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine (PubChem CID 140543119) has the molecular formula C26H35N7 and a molecular weight of 445.62 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine
PubChem CID140543119
Molecular FormulaC26H35N7
Molecular Weight445.62 g/mol
Exact Mass445.30
IUPAC NameN-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine
SMILESCC(C)N1CCN(c2ccc(-c3ccc4nc(NN5CCN(C)CC5)ncc4c3)cc2)CC1
InChIInChI=1S/C26H35N7/c1-20(2)31-12-14-32(15-13-31)24-7-4-21(5-8-24)22-6-9-25-23(18-22)19-27-26(28-25)29-33-16-10-30(3)11-17-33/h4-9,18-20H,10-17H2,1-3H3,(H,27,28,29)
InChIKeyACNXDAYBCYWWDR-UHFFFAOYSA-N
XLogP3.40
TPSA50.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.62
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine (CID 140543119) is N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine is CC(C)N1CCN(c2ccc(-c3ccc4nc(NN5CCN(C)CC5)ncc4c3)cc2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine?
The InChIKey is ACNXDAYBCYWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7/c1-20(2)31-12-14-32(15-13-31)24-7-4-21(5-8-24)22-6-9-25-23(18-22)19-27-26(28-25)29-33-16-10-30(3)11-17-33/h4-9,18-20H,10-17H2,1-3H3,(H,27,28,29).
What are the key properties of N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine?
N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine has a molecular weight of 445.62 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 140543119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).