8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one

C30H32N2O4S — CID 19972628

IUPAC8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one
SMILESCOc1ccccc1N1CCN(CCS(=O)Cc2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1
InChIInChI=1S/C30H32N2O4S/c1-22-28(33)25-12-8-11-24(30(25)36-29(22)23-9-4-3-5-10-23)21-37(34)20-19-31-15-17-32(18-16-31)26-13-6-7-14-27(26)35-2/h3-14H,15-21H2,1-2H3
InChIKeyUEVUYQDBNPGDNB-UHFFFAOYSA-N
MW516.66 g/mol
LogP4.85
Rot. Bonds8

About 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one

8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one (PubChem CID 19972628) has the molecular formula C30H32N2O4S and a molecular weight of 516.66 g/mol. Its IUPAC name is 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one
PubChem CID19972628
Molecular FormulaC30H32N2O4S
Molecular Weight516.66 g/mol
Exact Mass516.21
IUPAC Name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one
SMILESCOc1ccccc1N1CCN(CCS(=O)Cc2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1
InChIInChI=1S/C30H32N2O4S/c1-22-28(33)25-12-8-11-24(30(25)36-29(22)23-9-4-3-5-10-23)21-37(34)20-19-31-15-17-32(18-16-31)26-13-6-7-14-27(26)35-2/h3-14H,15-21H2,1-2H3
InChIKeyUEVUYQDBNPGDNB-UHFFFAOYSA-N
XLogP4.85
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.66
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]methyl]-3-methyl-2-phenylchromen-4-one
CID 19972462
8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylsulfinyl]-3-methyl-2-phenylchromen-4-one
CID 10459669
8-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-1-enyl]-3-methyl-2-phenylchromen-4-one
CID 19972634
8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-3-methyl-2-phenylchromen-4-one;hydrochloride
CID 172775012
8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-sulfanylidenebutyl]-3-methyl-2-phenylchromen-4-one
CID 174295064
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide
CID 19972665
8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-3-methyl-2-phenylchromen-4-one;hydrate;hydrochloride
CID 67714452
N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972425
bis(2-(4-benzoylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxochromene-8-carboxamide);methanesulfonic acid;hydrate
CID 173328171
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-3,5-dimethyl-2-phenylchromen-4-one
CID 67714753
6-(dimethylamino)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972731
6-(ethylamino)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972371

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one (CID 19972628) is 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one is COc1ccccc1N1CCN(CCS(=O)Cc2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1.
What is the InChIKey of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one?
The InChIKey is UEVUYQDBNPGDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4S/c1-22-28(33)25-12-8-11-24(30(25)36-29(22)23-9-4-3-5-10-23)21-37(34)20-19-31-15-17-32(18-16-31)26-13-6-7-14-27(26)35-2/h3-14H,15-21H2,1-2H3.
What are the key properties of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one?
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one has a molecular weight of 516.66 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfinylmethyl]-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 19972628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).