8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine

C29H33N7O2 — CID 175011381

IUPAC8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine
SMILESCC(Oc1ccc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)nc1)C1CNCCO1
InChIInChI=1S/C29H33N7O2/c1-20(27-19-31-13-16-37-27)38-24-9-10-26(32-18-24)25-4-2-3-21-17-33-29(35-28(21)25)34-22-5-7-23(8-6-22)36-14-11-30-12-15-36/h2-10,17-18,20,27,30-31H,11-16,19H2,1H3,(H,33,34,35)
InChIKeySJPFYHXMQPFHBV-UHFFFAOYSA-N
MW511.63 g/mol
LogP3.60
Rot. Bonds7

About 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine

8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine (PubChem CID 175011381) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine
PubChem CID175011381
Molecular FormulaC29H33N7O2
Molecular Weight511.63 g/mol
Exact Mass511.27
IUPAC Name8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine
SMILESCC(Oc1ccc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)nc1)C1CNCCO1
InChIInChI=1S/C29H33N7O2/c1-20(27-19-31-13-16-37-27)38-24-9-10-26(32-18-24)25-4-2-3-21-17-33-29(35-28(21)25)34-22-5-7-23(8-6-22)36-14-11-30-12-15-36/h2-10,17-18,20,27,30-31H,11-16,19H2,1H3,(H,33,34,35)
InChIKeySJPFYHXMQPFHBV-UHFFFAOYSA-N
XLogP3.60
TPSA96.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine?
The IUPAC name of 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine (CID 175011381) is 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine is CC(Oc1ccc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)nc1)C1CNCCO1.
What is the InChIKey of 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine?
The InChIKey is SJPFYHXMQPFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-20(27-19-31-13-16-37-27)38-24-9-10-26(32-18-24)25-4-2-3-21-17-33-29(35-28(21)25)34-22-5-7-23(8-6-22)36-14-11-30-12-15-36/h2-10,17-18,20,27,30-31H,11-16,19H2,1H3,(H,33,34,35).
What are the key properties of 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine?
8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine has a molecular weight of 511.63 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 175011381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).