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

C22H26N4O — CID 7445350

IUPAC(7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2
InChIInChI=1S/C22H26N4O/c1-16-21-19(24-22(23-16)26-12-10-25(2)11-13-26)14-18(15-20(21)27)9-8-17-6-4-3-5-7-17/h3-9,18H,10-15H2,1-2H3/b9-8+/t18-/m1/s1
InChIKeyAZLBRTRMNIZCNH-GFOMBABLSA-N
MW362.48 g/mol
LogP3.00
Rot. Bonds3

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

(7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7445350) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID7445350
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2
InChIInChI=1S/C22H26N4O/c1-16-21-19(24-22(23-16)26-12-10-25(2)11-13-26)14-18(15-20(21)27)9-8-17-6-4-3-5-7-17/h3-9,18H,10-15H2,1-2H3/b9-8+/t18-/m1/s1
InChIKeyAZLBRTRMNIZCNH-GFOMBABLSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one (CID 7445350) is (7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2.
What is the InChIKey of (7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is AZLBRTRMNIZCNH-GFOMBABLSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-21-19(24-22(23-16)26-12-10-25(2)11-13-26)14-18(15-20(21)27)9-8-17-6-4-3-5-7-17/h3-9,18H,10-15H2,1-2H3/b9-8+/t18-/m1/s1.
What are the key properties of (7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
(7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 362.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7445350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).