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

C25H32N6O2 — CID 11339853

IUPAC3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESNn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CC(O)CC2
InChIInChI=1S/C25H32N6O2/c26-31-24(28-22-10-9-19(32)17-20(22)25(31)33)7-3-4-12-29-13-15-30(16-14-29)23-11-8-18-5-1-2-6-21(18)27-23/h1-2,5-6,8,11,19,32H,3-4,7,9-10,12-17,26H2
InChIKeyZNOMCTSKVJJIMN-UHFFFAOYSA-N
MW448.57 g/mol
LogP1.50
Rot. Bonds6

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

3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 11339853) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID11339853
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESNn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CC(O)CC2
InChIInChI=1S/C25H32N6O2/c26-31-24(28-22-10-9-19(32)17-20(22)25(31)33)7-3-4-12-29-13-15-30(16-14-29)23-11-8-18-5-1-2-6-21(18)27-23/h1-2,5-6,8,11,19,32H,3-4,7,9-10,12-17,26H2
InChIKeyZNOMCTSKVJJIMN-UHFFFAOYSA-N
XLogP1.50
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

Tzb-30878
CID 11430418
3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7-trihydro-3h-cyclopenta[d]pyrimidin-4-one
CID 23155834
3-Amino-6-fluoro-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 11305391
3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8,9-pentahydro-3h-cyclohepta[d]pyrimidin-4-one
CID 11328306
3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]quinazolin-4-one
CID 11464531
3-Amino-6-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 11476372
3-amino-2-[4-[4-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 23155621
3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-5,6,7,8-tetrahydro-3h-quinazolin-4-one
CID 23155625
3-Amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydro-3h-quinazolin-4-one
CID 23155650
3-Amino-8-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 23155667
5-Amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 23155676
3-Amino-7-fluoro-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 23155688

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one (CID 11339853) is 3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one is Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CC(O)CC2.
What is the InChIKey of 3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is ZNOMCTSKVJJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c26-31-24(28-22-10-9-19(32)17-20(22)25(31)33)7-3-4-12-29-13-15-30(16-14-29)23-11-8-18-5-1-2-6-21(18)27-23/h1-2,5-6,8,11,19,32H,3-4,7,9-10,12-17,26H2.
What are the key properties of 3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one?
3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 448.57 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 11339853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).