3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one

C22H23N5O2 — CID 10715370

IUPAC3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one
SMILESCOc1ccccc1N1CCN(Cc2cnc3c4ccccc4[nH]c(=O)n23)CC1
InChIInChI=1S/C22H23N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,14H,10-13,15H2,1H3,(H,24,28)
InChIKeyDUNKRRVDFBTVDR-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.51
Rot. Bonds4

About 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one

3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 10715370) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one
PubChem CID10715370
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one
SMILESCOc1ccccc1N1CCN(Cc2cnc3c4ccccc4[nH]c(=O)n23)CC1
InChIInChI=1S/C22H23N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,14H,10-13,15H2,1H3,(H,24,28)
InChIKeyDUNKRRVDFBTVDR-UHFFFAOYSA-N
XLogP2.51
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one (CID 10715370) is 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one is COc1ccccc1N1CCN(Cc2cnc3c4ccccc4[nH]c(=O)n23)CC1.
What is the InChIKey of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is DUNKRRVDFBTVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,14H,10-13,15H2,1H3,(H,24,28).
What are the key properties of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one?
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 389.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 10715370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).