3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one

C23H28N6O — CID 23155906

IUPAC3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESNn1c(CCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2
InChIInChI=1S/C23H28N6O/c24-29-22(26-20-8-4-2-6-18(20)23(29)30)11-12-27-13-15-28(16-14-27)21-10-9-17-5-1-3-7-19(17)25-21/h1,3,5,7,9-10H,2,4,6,8,11-16,24H2
InChIKeyXYQXSKXZFRFXOW-UHFFFAOYSA-N
MW404.52 g/mol
LogP1.75
Rot. Bonds4

About 3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one

3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 23155906) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID23155906
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESNn1c(CCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2
InChIInChI=1S/C23H28N6O/c24-29-22(26-20-8-4-2-6-18(20)23(29)30)11-12-27-13-15-28(16-14-27)21-10-9-17-5-1-3-7-19(17)25-21/h1,3,5,7,9-10H,2,4,6,8,11-16,24H2
InChIKeyXYQXSKXZFRFXOW-UHFFFAOYSA-N
XLogP1.75
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one (CID 23155906) is 3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one is Nn1c(CCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2.
What is the InChIKey of 3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is XYQXSKXZFRFXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c24-29-22(26-20-8-4-2-6-18(20)23(29)30)11-12-27-13-15-28(16-14-27)21-10-9-17-5-1-3-7-19(17)25-21/h1,3,5,7,9-10H,2,4,6,8,11-16,24H2.
What are the key properties of 3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 404.52 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 23155906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).