6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C24H28N6O2 — CID 135967774

IUPAC6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCCCOc1ccc(CN2CCN(C)CC2)cc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C24H28N6O2/c1-3-10-32-22-5-4-16(14-30-8-6-29(2)7-9-30)11-18(22)23-27-19-13-21-20(25-15-26-21)12-17(19)24(31)28-23/h4-5,11-13,15H,3,6-10,14H2,1-2H3,(H,25,26)(H,27,28,31)
InChIKeyFIYJQZMOXOXFEU-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.00
Rot. Bonds6

About 6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135967774) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135967774
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCCCOc1ccc(CN2CCN(C)CC2)cc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C24H28N6O2/c1-3-10-32-22-5-4-16(14-30-8-6-29(2)7-9-30)11-18(22)23-27-19-13-21-20(25-15-26-21)12-17(19)24(31)28-23/h4-5,11-13,15H,3,6-10,14H2,1-2H3,(H,25,26)(H,27,28,31)
InChIKeyFIYJQZMOXOXFEU-UHFFFAOYSA-N
XLogP3.00
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135967774) is 6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is CCCOc1ccc(CN2CCN(C)CC2)cc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is FIYJQZMOXOXFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-10-32-22-5-4-16(14-30-8-6-29(2)7-9-30)11-18(22)23-27-19-13-21-20(25-15-26-21)12-17(19)24(31)28-23/h4-5,11-13,15H,3,6-10,14H2,1-2H3,(H,25,26)(H,27,28,31).
What are the key properties of 6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 432.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135967774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).