2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C22H22N4O4 — CID 4873973

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C22H22N4O4/c1-14-20-16(12-15(13-17(20)27)18-4-2-10-29-18)24-22(23-14)26-8-6-25(7-9-26)21(28)19-5-3-11-30-19/h2-5,10-11,15H,6-9,12-13H2,1H3
InChIKeyPUXLBDJEKFGDNT-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.85
Rot. Bonds3

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 4873973) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID4873973
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C22H22N4O4/c1-14-20-16(12-15(13-17(20)27)18-4-2-10-29-18)24-22(23-14)26-8-6-25(7-9-26)21(28)19-5-3-11-30-19/h2-5,10-11,15H,6-9,12-13H2,1H3
InChIKeyPUXLBDJEKFGDNT-UHFFFAOYSA-N
XLogP2.85
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

(7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41001721
(7R)-7-(2-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 40814783
2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43902865
(7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 40961693
7-(furan-2-yl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 2990960
4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 4873963
(7S)-7-(furan-2-yl)-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7601691
(7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 7447070
(7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 100870300
(7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160167
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
(7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 4873973) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)CC(c1ccco1)C2.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PUXLBDJEKFGDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14-20-16(12-15(13-17(20)27)18-4-2-10-29-18)24-22(23-14)26-8-6-25(7-9-26)21(28)19-5-3-11-30-19/h2-5,10-11,15H,6-9,12-13H2,1H3.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 406.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 4873973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).