1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one

C24H24N2O3S — CID 84967087

IUPAC1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one
SMILESO=c1cc(CNCC(c2cccs2)N2CCOCC2)c2c(ccc3ccccc32)o1
InChIInChI=1S/C24H24N2O3S/c27-23-14-18(24-19-5-2-1-4-17(19)7-8-21(24)29-23)15-25-16-20(22-6-3-13-30-22)26-9-11-28-12-10-26/h1-8,13-14,20,25H,9-12,15-16H2
InChIKeyXLWBMZZGFZRVGT-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.17
Rot. Bonds6

About 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one

1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one (PubChem CID 84967087) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one.

Molecular Properties

Compound Name1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one
PubChem CID84967087
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one
SMILESO=c1cc(CNCC(c2cccs2)N2CCOCC2)c2c(ccc3ccccc32)o1
InChIInChI=1S/C24H24N2O3S/c27-23-14-18(24-19-5-2-1-4-17(19)7-8-21(24)29-23)15-25-16-20(22-6-3-13-30-22)26-9-11-28-12-10-26/h1-8,13-14,20,25H,9-12,15-16H2
InChIKeyXLWBMZZGFZRVGT-UHFFFAOYSA-N
XLogP4.17
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one with MolForge

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Related Compounds

6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
CID 9265997
1-[[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]methyl]benzo[f]chromen-3-one
CID 9263113
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 110826727
7-methyl-6-propan-2-yl-4-[[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
CID 9263164
N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 17463435
1-[[(4-fluorophenyl)methylamino]methyl]benzo[f]chromen-3-one
CID 9256557
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
1-[[3-(dimethylamino)propylamino]methyl]benzo[f]chromen-3-one
CID 4858068
2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
(3R)-3-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]oxolan-2-one
CID 95740548
N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 47008131
3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-en-1-amine
CID 119160583

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one?
The IUPAC name of 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one (CID 84967087) is 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one.
What is the SMILES notation for 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one?
The canonical SMILES for 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one is O=c1cc(CNCC(c2cccs2)N2CCOCC2)c2c(ccc3ccccc32)o1.
What is the InChIKey of 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one?
The InChIKey is XLWBMZZGFZRVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-23-14-18(24-19-5-2-1-4-17(19)7-8-21(24)29-23)15-25-16-20(22-6-3-13-30-22)26-9-11-28-12-10-26/h1-8,13-14,20,25H,9-12,15-16H2.
What are the key properties of 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one?
1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one has a molecular weight of 420.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one is sourced from PubChem (CID 84967087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).