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

C25H24N4O3 — CID 40814781

IUPAC(7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](/C=C/c2ccccc2)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21
InChIInChI=1S/C25H24N4O3/c30-22-16-19(9-8-18-5-2-1-3-6-18)15-21-20(22)17-26-25(27-21)29-12-10-28(11-13-29)24(31)23-7-4-14-32-23/h1-9,14,17,19H,10-13,15-16H2/b9-8+/t19-/m1/s1
InChIKeyPDEQGDIVWDKNIV-CSHXORCISA-N
MW428.49 g/mol
LogP3.49
Rot. Bonds4

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

(7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 40814781) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is (7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID40814781
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name(7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](/C=C/c2ccccc2)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21
InChIInChI=1S/C25H24N4O3/c30-22-16-19(9-8-18-5-2-1-3-6-18)15-21-20(22)17-26-25(27-21)29-12-10-28(11-13-29)24(31)23-7-4-14-32-23/h1-9,14,17,19H,10-13,15-16H2/b9-8+/t19-/m1/s1
InChIKeyPDEQGDIVWDKNIV-CSHXORCISA-N
XLogP3.49
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 41001704
2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 17190243
(7S)-7-[(E)-2-phenylethenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 40814764
2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 155753361
7-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 3162746
ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 41063175
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262168
(7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160212
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
(7S)-4-methyl-7-[(E)-2-phenylethenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 40961426
(7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160167
4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 53143954

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one (CID 40814781) is (7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@H](/C=C/c2ccccc2)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21.
What is the InChIKey of (7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PDEQGDIVWDKNIV-CSHXORCISA-N. The full InChI is InChI=1S/C25H24N4O3/c30-22-16-19(9-8-18-5-2-1-3-6-18)15-21-20(22)17-26-25(27-21)29-12-10-28(11-13-29)24(31)23-7-4-14-32-23/h1-9,14,17,19H,10-13,15-16H2/b9-8+/t19-/m1/s1.
What are the key properties of (7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
(7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 428.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 40814781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).