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

C25H27N5O3 — CID 29160167

IUPAC(7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2
InChIInChI=1S/C25H27N5O3/c1-2-26-23-22-19(15-18(16-20(22)31)17-7-4-3-5-8-17)27-25(28-23)30-12-10-29(11-13-30)24(32)21-9-6-14-33-21/h3-9,14,18H,2,10-13,15-16H2,1H3,(H,26,27,28)/t18-/m1/s1
InChIKeyGTRKPSIRMIKGSA-GOSISDBHSA-N
MW445.52 g/mol
LogP3.38
Rot. Bonds5

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

(7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 29160167) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is (7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID29160167
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name(7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2
InChIInChI=1S/C25H27N5O3/c1-2-26-23-22-19(15-18(16-20(22)31)17-7-4-3-5-8-17)27-25(28-23)30-12-10-29(11-13-30)24(32)21-9-6-14-33-21/h3-9,14,18H,2,10-13,15-16H2,1H3,(H,26,27,28)/t18-/m1/s1
InChIKeyGTRKPSIRMIKGSA-GOSISDBHSA-N
XLogP3.38
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160156
(7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160164
(7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160212
(7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29160173
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-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41001721
2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 4873973
4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 17036503
(7R)-7-(2-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 40814783
(7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 41001704
(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 41387353
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092

Frequently Asked Questions

What is the IUPAC name of (7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 29160167) is (7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is CCNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2.
What is the InChIKey of (7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is GTRKPSIRMIKGSA-GOSISDBHSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-2-26-23-22-19(15-18(16-20(22)31)17-7-4-3-5-8-17)27-25(28-23)30-12-10-29(11-13-30)24(32)21-9-6-14-33-21/h3-9,14,18H,2,10-13,15-16H2,1H3,(H,26,27,28)/t18-/m1/s1.
What are the key properties of (7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
(7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 445.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 29160167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).