N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine

C25H26N6O — CID 70789671

IUPACN-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCOc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)ccc1N1CCN(C)CC1
InChIInChI=1S/C25H26N6O/c1-30-13-15-31(16-14-30)22-8-7-19(17-23(22)32-2)27-25-20-5-3-4-6-21(20)28-24(29-25)18-9-11-26-12-10-18/h3-12,17H,13-16H2,1-2H3,(H,27,28,29)
InChIKeyFOZLMGCSCOYQHP-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.20
Rot. Bonds5

About N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine

N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 70789671) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID70789671
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCOc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)ccc1N1CCN(C)CC1
InChIInChI=1S/C25H26N6O/c1-30-13-15-31(16-14-30)22-8-7-19(17-23(22)32-2)27-25-20-5-3-4-6-21(20)28-24(29-25)18-9-11-26-12-10-18/h3-12,17H,13-16H2,1-2H3,(H,27,28,29)
InChIKeyFOZLMGCSCOYQHP-UHFFFAOYSA-N
XLogP4.20
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine (CID 70789671) is N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine is COc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is FOZLMGCSCOYQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-30-13-15-31(16-14-30)22-8-7-19(17-23(22)32-2)27-25-20-5-3-4-6-21(20)28-24(29-25)18-9-11-26-12-10-18/h3-12,17H,13-16H2,1-2H3,(H,27,28,29).
What are the key properties of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine?
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 426.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 70789671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).