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

C24H30N6O — CID 23155869

IUPAC3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESNn1c(CCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2
InChIInChI=1S/C24H30N6O/c25-30-23(27-21-9-4-2-7-19(21)24(30)31)10-5-13-28-14-16-29(17-15-28)22-12-11-18-6-1-3-8-20(18)26-22/h1,3,6,8,11-12H,2,4-5,7,9-10,13-17,25H2
InChIKeyWCNGVFDLZVYEJL-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.14
Rot. Bonds5

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

3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 23155869) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID23155869
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESNn1c(CCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2
InChIInChI=1S/C24H30N6O/c25-30-23(27-21-9-4-2-7-19(21)24(30)31)10-5-13-28-14-16-29(17-15-28)22-12-11-18-6-1-3-8-20(18)26-22/h1,3,6,8,11-12H,2,4-5,7,9-10,13-17,25H2
InChIKeyWCNGVFDLZVYEJL-UHFFFAOYSA-N
XLogP2.14
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one (CID 23155869) is 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one is Nn1c(CCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2.
What is the InChIKey of 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is WCNGVFDLZVYEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c25-30-23(27-21-9-4-2-7-19(21)24(30)31)10-5-13-28-14-16-29(17-15-28)22-12-11-18-6-1-3-8-20(18)26-22/h1,3,6,8,11-12H,2,4-5,7,9-10,13-17,25H2.
What are the key properties of 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one?
3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 418.55 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 23155869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).