7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C18H23N5O2 — CID 17168734

IUPAC7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCNc1nc(N2CCN(C)CC2)nc2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C18H23N5O2/c1-19-17-16-13(10-12(11-14(16)24)15-4-3-9-25-15)20-18(21-17)23-7-5-22(2)6-8-23/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyQYGPNHBRGNMNFR-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.78
Rot. Bonds3

About 7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 17168734) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID17168734
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCNc1nc(N2CCN(C)CC2)nc2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C18H23N5O2/c1-19-17-16-13(10-12(11-14(16)24)15-4-3-9-25-15)20-18(21-17)23-7-5-22(2)6-8-23/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyQYGPNHBRGNMNFR-UHFFFAOYSA-N
XLogP1.78
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 17168734) is 7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is CNc1nc(N2CCN(C)CC2)nc2c1C(=O)CC(c1ccco1)C2.
What is the InChIKey of 7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QYGPNHBRGNMNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-19-17-16-13(10-12(11-14(16)24)15-4-3-9-25-15)20-18(21-17)23-7-5-22(2)6-8-23/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 341.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 17168734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).