8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine

C28H32N8O2 — CID 175337831

IUPAC8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine
SMILESCC(Oc1ccnc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c1)C1CNCCO1
InChIInChI=1S/C28H32N8O2/c1-19(25-18-30-11-14-37-25)38-22-7-8-31-24(15-22)23-4-2-3-20-16-33-28(35-27(20)23)34-21-5-6-26(32-17-21)36-12-9-29-10-13-36/h2-8,15-17,19,25,29-30H,9-14,18H2,1H3,(H,33,34,35)
InChIKeyWAZHBTHOQGVOKL-UHFFFAOYSA-N
MW512.62 g/mol
LogP3.00
Rot. Bonds7

About 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine

8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine (PubChem CID 175337831) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 g/mol. Its IUPAC name is 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine.

Molecular Properties

Compound Name8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine
PubChem CID175337831
Molecular FormulaC28H32N8O2
Molecular Weight512.62 g/mol
Exact Mass512.26
IUPAC Name8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine
SMILESCC(Oc1ccnc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c1)C1CNCCO1
InChIInChI=1S/C28H32N8O2/c1-19(25-18-30-11-14-37-25)38-22-7-8-31-24(15-22)23-4-2-3-20-16-33-28(35-27(20)23)34-21-5-6-26(32-17-21)36-12-9-29-10-13-36/h2-8,15-17,19,25,29-30H,9-14,18H2,1H3,(H,33,34,35)
InChIKeyWAZHBTHOQGVOKL-UHFFFAOYSA-N
XLogP3.00
TPSA109.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.62
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine?
The IUPAC name of 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine (CID 175337831) is 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine.
What is the SMILES notation for 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine?
The canonical SMILES for 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine is CC(Oc1ccnc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c1)C1CNCCO1.
What is the InChIKey of 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine?
The InChIKey is WAZHBTHOQGVOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-19(25-18-30-11-14-37-25)38-22-7-8-31-24(15-22)23-4-2-3-20-16-33-28(35-27(20)23)34-21-5-6-26(32-17-21)36-12-9-29-10-13-36/h2-8,15-17,19,25,29-30H,9-14,18H2,1H3,(H,33,34,35).
What are the key properties of 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine?
8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine has a molecular weight of 512.62 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine is sourced from PubChem (CID 175337831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).