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

C21H27N5O — CID 29160156

IUPAC(7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2
InChIInChI=1S/C21H27N5O/c1-3-22-20-19-17(23-21(24-20)26-11-9-25(2)10-12-26)13-16(14-18(19)27)15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H,22,23,24)/t16-/m0/s1
InChIKeyWCWFVSIFYVKWDU-INIZCTEOSA-N
MW365.48 g/mol
LogP2.57
Rot. Bonds4

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

(7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 29160156) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID29160156
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2
InChIInChI=1S/C21H27N5O/c1-3-22-20-19-17(23-21(24-20)26-11-9-25(2)10-12-26)13-16(14-18(19)27)15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H,22,23,24)/t16-/m0/s1
InChIKeyWCWFVSIFYVKWDU-INIZCTEOSA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160164
(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
(7S)-4-(ethylamino)-7-(furan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29160235
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)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 41387353
7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 17168734
(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7447113
4-anilino-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 43902959
(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 42570579
4-[(7S)-7-(furan-2-yl)-4-(methylamino)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 41286472

Frequently Asked Questions

What is the IUPAC name of (7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 29160156) is (7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is CCNc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2.
What is the InChIKey of (7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is WCWFVSIFYVKWDU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N5O/c1-3-22-20-19-17(23-21(24-20)26-11-9-25(2)10-12-26)13-16(14-18(19)27)15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H,22,23,24)/t16-/m0/s1.
What are the key properties of (7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
(7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 365.48 g/mol, XLogP of 2.57, 4 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-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 29160156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).