5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid

C24H26N4O3 — CID 1391253

IUPAC5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid
SMILESCc1ccc2nc(N3CCN(C(=O)CCCC(=O)O)CC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C24H26N4O3/c1-17-10-11-20-19(16-17)23(18-6-3-2-4-7-18)26-24(25-20)28-14-12-27(13-15-28)21(29)8-5-9-22(30)31/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3,(H,30,31)
InChIKeySVVDOBNDTHUGEE-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.51
Rot. Bonds6

About 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid

5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 1391253) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid
PubChem CID1391253
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid
SMILESCc1ccc2nc(N3CCN(C(=O)CCCC(=O)O)CC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C24H26N4O3/c1-17-10-11-20-19(16-17)23(18-6-3-2-4-7-18)26-24(25-20)28-14-12-27(13-15-28)21(29)8-5-9-22(30)31/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3,(H,30,31)
InChIKeySVVDOBNDTHUGEE-UHFFFAOYSA-N
XLogP3.51
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid (CID 1391253) is 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid is Cc1ccc2nc(N3CCN(C(=O)CCCC(=O)O)CC3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is SVVDOBNDTHUGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-10-11-20-19(16-17)23(18-6-3-2-4-7-18)26-24(25-20)28-14-12-27(13-15-28)21(29)8-5-9-22(30)31/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3,(H,30,31).
What are the key properties of 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid?
5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 418.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 1391253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).