3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid

C18H24N4O3 — CID 71563908

IUPAC3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid
SMILESCC(C)N1CCN(c2nc3ccccc3c(=O)n2CCC(=O)O)CC1
InChIInChI=1S/C18H24N4O3/c1-13(2)20-9-11-21(12-10-20)18-19-15-6-4-3-5-14(15)17(25)22(18)8-7-16(23)24/h3-6,13H,7-12H2,1-2H3,(H,23,24)
InChIKeyWZCRJNJVPBJYKU-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.40
Rot. Bonds5

About 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid

3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid (PubChem CID 71563908) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid
PubChem CID71563908
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid
SMILESCC(C)N1CCN(c2nc3ccccc3c(=O)n2CCC(=O)O)CC1
InChIInChI=1S/C18H24N4O3/c1-13(2)20-9-11-21(12-10-20)18-19-15-6-4-3-5-14(15)17(25)22(18)8-7-16(23)24/h3-6,13H,7-12H2,1-2H3,(H,23,24)
InChIKeyWZCRJNJVPBJYKU-UHFFFAOYSA-N
XLogP1.40
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide
CID 50844325
bis(3-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid);piperazine
CID 3053641
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829
2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-(2-hydroxyethyl)quinazolin-4-one
CID 146140356
3-[2-[(3-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoic acid
CID 45459424
3-[2-[(Z)-2-(2-methylpyrazol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid
CID 97449963
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531421
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
(2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid
CID 10184970
methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 53200341
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
CID 71802773

Frequently Asked Questions

What is the IUPAC name of 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid?
The IUPAC name of 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid (CID 71563908) is 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid is CC(C)N1CCN(c2nc3ccccc3c(=O)n2CCC(=O)O)CC1.
What is the InChIKey of 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid?
The InChIKey is WZCRJNJVPBJYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(2)20-9-11-21(12-10-20)18-19-15-6-4-3-5-14(15)17(25)22(18)8-7-16(23)24/h3-6,13H,7-12H2,1-2H3,(H,23,24).
What are the key properties of 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid?
3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid has a molecular weight of 344.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid is sourced from PubChem (CID 71563908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).