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

C26H34N6O — CID 23155676

IUPAC3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESNn1c(CCCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2
InChIInChI=1S/C26H34N6O/c27-32-25(29-23-11-6-4-9-21(23)26(32)33)12-2-1-7-15-30-16-18-31(19-17-30)24-14-13-20-8-3-5-10-22(20)28-24/h3,5,8,10,13-14H,1-2,4,6-7,9,11-12,15-19,27H2
InChIKeyOPVPOKBFTBDGTR-UHFFFAOYSA-N
MW446.60 g/mol
LogP2.92
Rot. Bonds7

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

3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 23155676) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID23155676
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESNn1c(CCCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2
InChIInChI=1S/C26H34N6O/c27-32-25(29-23-11-6-4-9-21(23)26(32)33)12-2-1-7-15-30-16-18-31(19-17-30)24-14-13-20-8-3-5-10-22(20)28-24/h3,5,8,10,13-14H,1-2,4,6-7,9,11-12,15-19,27H2
InChIKeyOPVPOKBFTBDGTR-UHFFFAOYSA-N
XLogP2.92
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one (CID 23155676) is 3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one is Nn1c(CCCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2.
What is the InChIKey of 3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is OPVPOKBFTBDGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c27-32-25(29-23-11-6-4-9-21(23)26(32)33)12-2-1-7-15-30-16-18-31(19-17-30)24-14-13-20-8-3-5-10-22(20)28-24/h3,5,8,10,13-14H,1-2,4,6-7,9,11-12,15-19,27H2.
What are the key properties of 3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one?
3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 446.60 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 23155676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).