N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine

C21H32N6 — CID 59551735

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine
SMILESCN1CCN(CCCNc2ccc3c(C4CCNCC4)ncnc3c2)CC1
InChIInChI=1S/C21H32N6/c1-26-11-13-27(14-12-26)10-2-7-23-18-3-4-19-20(15-18)24-16-25-21(19)17-5-8-22-9-6-17/h3-4,15-17,22-23H,2,5-14H2,1H3
InChIKeyKSFXZDYCQROVRI-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.15
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine

N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine (PubChem CID 59551735) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine
PubChem CID59551735
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine
SMILESCN1CCN(CCCNc2ccc3c(C4CCNCC4)ncnc3c2)CC1
InChIInChI=1S/C21H32N6/c1-26-11-13-27(14-12-26)10-2-7-23-18-3-4-19-20(15-18)24-16-25-21(19)17-5-8-22-9-6-17/h3-4,15-17,22-23H,2,5-14H2,1H3
InChIKeyKSFXZDYCQROVRI-UHFFFAOYSA-N
XLogP2.15
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine (CID 59551735) is N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine is CN1CCN(CCCNc2ccc3c(C4CCNCC4)ncnc3c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine?
The InChIKey is KSFXZDYCQROVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-26-11-13-27(14-12-26)10-2-7-23-18-3-4-19-20(15-18)24-16-25-21(19)17-5-8-22-9-6-17/h3-4,15-17,22-23H,2,5-14H2,1H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine?
N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine has a molecular weight of 368.53 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine is sourced from PubChem (CID 59551735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).