2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one

C20H20N4O4 — CID 135677066

IUPAC2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H20N4O4/c25-18(8-7-17-21-15-5-2-1-4-14(15)19(26)22-17)23-9-11-24(12-10-23)20(27)16-6-3-13-28-16/h1-6,13H,7-12H2,(H,21,22,26)
InChIKeyVHQKEUZLPYZRLV-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.43
Rot. Bonds4

About 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one

2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one (PubChem CID 135677066) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
PubChem CID135677066
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H20N4O4/c25-18(8-7-17-21-15-5-2-1-4-14(15)19(26)22-17)23-9-11-24(12-10-23)20(27)16-6-3-13-28-16/h1-6,13H,7-12H2,(H,21,22,26)
InChIKeyVHQKEUZLPYZRLV-UHFFFAOYSA-N
XLogP1.43
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one (CID 135677066) is 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one is O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one?
The InChIKey is VHQKEUZLPYZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-18(8-7-17-21-15-5-2-1-4-14(15)19(26)22-17)23-9-11-24(12-10-23)20(27)16-6-3-13-28-16/h1-6,13H,7-12H2,(H,21,22,26).
What are the key properties of 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one?
2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one has a molecular weight of 380.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135677066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).