7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one

C24H22N2O3 — CID 175871546

IUPAC7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one
SMILESO=c1c(CNCCc2ccccn2)coc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C24H22N2O3/c27-24-19(15-25-13-11-20-8-4-5-12-26-20)17-29-23-14-21(9-10-22(23)24)28-16-18-6-2-1-3-7-18/h1-10,12,14,17,25H,11,13,15-16H2
InChIKeyLJJOJKFSTJNWFB-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.10
Rot. Bonds8

About 7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one

7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one (PubChem CID 175871546) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one.

Molecular Properties

Compound Name7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one
PubChem CID175871546
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one
SMILESO=c1c(CNCCc2ccccn2)coc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C24H22N2O3/c27-24-19(15-25-13-11-20-8-4-5-12-26-20)17-29-23-14-21(9-10-22(23)24)28-16-18-6-2-1-3-7-18/h1-10,12,14,17,25H,11,13,15-16H2
InChIKeyLJJOJKFSTJNWFB-UHFFFAOYSA-N
XLogP4.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 2352168
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CID 10368032
3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-yl}oxy)propyl]amino}methyl)phenyl N-heptylcarbamate hydrochloride
CID 10721720
7-(benzyloxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10026826
7-Methoxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one
CID 11153057
7-Methoxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11164739
3-(4-Methoxyphenyl)-7-(phenylmethoxy)-2-[(4-pyridylmethyl)thio]4H-1-benzopyran-4-one
CID 11179136
7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11246736
1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
Dilmefone
CID 6445006
3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-yl}oxy)propyl]amino}methyl)phenyl N-butylcarbamate hydrochloride
CID 10792213
3-Phenyl-7-(4-fluorophenylmethoxy)-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one
CID 23644948

Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one?
The IUPAC name of 7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one (CID 175871546) is 7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one.
What is the SMILES notation for 7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one?
The canonical SMILES for 7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one is O=c1c(CNCCc2ccccn2)coc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one?
The InChIKey is LJJOJKFSTJNWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-24-19(15-25-13-11-20-8-4-5-12-26-20)17-29-23-14-21(9-10-22(23)24)28-16-18-6-2-1-3-7-18/h1-10,12,14,17,25H,11,13,15-16H2.
What are the key properties of 7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one?
7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one has a molecular weight of 386.45 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-3-[(2-pyridin-2-ylethylamino)methyl]chromen-4-one is sourced from PubChem (CID 175871546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).