(7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

C22H29N5O — CID 29160164

IUPAC(7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(CC)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2
InChIInChI=1S/C22H29N5O/c1-3-23-21-20-18(14-17(15-19(20)28)16-8-6-5-7-9-16)24-22(25-21)27-12-10-26(4-2)11-13-27/h5-9,17H,3-4,10-15H2,1-2H3,(H,23,24,25)/t17-/m0/s1
InChIKeyFLNJILPGVVMFNL-KRWDZBQOSA-N
MW379.51 g/mol
LogP2.96
Rot. Bonds5

About (7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

(7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 29160164) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID29160164
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(CC)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2
InChIInChI=1S/C22H29N5O/c1-3-23-21-20-18(14-17(15-19(20)28)16-8-6-5-7-9-16)24-22(25-21)27-12-10-26(4-2)11-13-27/h5-9,17H,3-4,10-15H2,1-2H3,(H,23,24,25)/t17-/m0/s1
InChIKeyFLNJILPGVVMFNL-KRWDZBQOSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7S)-4-(ethylamino)-2-(4-ethylpiperazin-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
(7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29160173
(7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160167
4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 17036503
(7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 29160251
(7S)-4-(ethylamino)-7-(furan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29160235
(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 41387353
(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7447113
(7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160215
4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 16584663
4-[(7S)-7-(furan-2-yl)-4-(methylamino)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 41286472
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210

Frequently Asked Questions

What is the IUPAC name of (7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 29160164) is (7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is CCNc1nc(N2CCN(CC)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2.
What is the InChIKey of (7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FLNJILPGVVMFNL-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29N5O/c1-3-23-21-20-18(14-17(15-19(20)28)16-8-6-5-7-9-16)24-22(25-21)27-12-10-26(4-2)11-13-27/h5-9,17H,3-4,10-15H2,1-2H3,(H,23,24,25)/t17-/m0/s1.
What are the key properties of (7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
(7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 379.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 29160164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).