3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C24H30N6O — CID 23155834

IUPAC3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESNn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCC2
InChIInChI=1S/C24H30N6O/c25-30-23(27-21-9-5-7-19(21)24(30)31)10-3-4-13-28-14-16-29(17-15-28)22-12-11-18-6-1-2-8-20(18)26-22/h1-2,6,8,11-12H,3-5,7,9-10,13-17,25H2
InChIKeySMZVQCAMELNWOP-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.14
Rot. Bonds6

About 3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 23155834) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID23155834
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESNn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCC2
InChIInChI=1S/C24H30N6O/c25-30-23(27-21-9-5-7-19(21)24(30)31)10-3-4-13-28-14-16-29(17-15-28)22-12-11-18-6-1-2-8-20(18)26-22/h1-2,6,8,11-12H,3-5,7,9-10,13-17,25H2
InChIKeySMZVQCAMELNWOP-UHFFFAOYSA-N
XLogP2.14
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.14
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-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 23155834) is 3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCC2.
What is the InChIKey of 3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is SMZVQCAMELNWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c25-30-23(27-21-9-5-7-19(21)24(30)31)10-3-4-13-28-14-16-29(17-15-28)22-12-11-18-6-1-2-8-20(18)26-22/h1-2,6,8,11-12H,3-5,7,9-10,13-17,25H2.
What are the key properties of 3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 418.55 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 23155834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).