2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one

C23H20N4O3 — CID 3236029

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one
SMILESO=C(c1ccco1)N1CCN(c2nc3ccccc3c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C23H20N4O3/c28-21-18-9-4-5-10-19(18)24-23(27(21)17-7-2-1-3-8-17)26-14-12-25(13-15-26)22(29)20-11-6-16-30-20/h1-11,16H,12-15H2
InChIKeyBPTZRRPONMSESG-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.94
Rot. Bonds3

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one

2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one (PubChem CID 3236029) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one
PubChem CID3236029
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one
SMILESO=C(c1ccco1)N1CCN(c2nc3ccccc3c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C23H20N4O3/c28-21-18-9-4-5-10-19(18)24-23(27(21)17-7-2-1-3-8-17)26-14-12-25(13-15-26)22(29)20-11-6-16-30-20/h1-11,16H,12-15H2
InChIKeyBPTZRRPONMSESG-UHFFFAOYSA-N
XLogP2.94
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one (CID 3236029) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one is O=C(c1ccco1)N1CCN(c2nc3ccccc3c(=O)n2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one?
The InChIKey is BPTZRRPONMSESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-21-18-9-4-5-10-19(18)24-23(27(21)17-7-2-1-3-8-17)26-14-12-25(13-15-26)22(29)20-11-6-16-30-20/h1-11,16H,12-15H2.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one has a molecular weight of 400.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 3236029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).