8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one

C20H19N3O4 — CID 4964119

IUPAC8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCN(c4ccccn4)CC3)c(=O)oc12
InChIInChI=1S/C20H19N3O4/c1-26-16-6-4-5-14-13-15(20(25)27-18(14)16)19(24)23-11-9-22(10-12-23)17-7-2-3-8-21-17/h2-8,13H,9-12H2,1H3
InChIKeyLUCWHOSVEZMKHT-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.16
Rot. Bonds3

About 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one

8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one (PubChem CID 4964119) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one
PubChem CID4964119
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCN(c4ccccn4)CC3)c(=O)oc12
InChIInChI=1S/C20H19N3O4/c1-26-16-6-4-5-14-13-15(20(25)27-18(14)16)19(24)23-11-9-22(10-12-23)17-7-2-3-8-21-17/h2-8,13H,9-12H2,1H3
InChIKeyLUCWHOSVEZMKHT-UHFFFAOYSA-N
XLogP2.16
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-(2-pyridyl)-4-(3,4,5-trimethoxycinnamoyl)-
CID 6445118
8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)-2H-chromene-3-carboxamide
CID 753170
3-(4-(pyridin-2-yl)piperazine-1-carbonyl)-2H-chromen-2-one
CID 773687
1-[2-[3-Methoxy-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine;oxalic acid
CID 18986870
1-[2-[4-Methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine;oxalic acid
CID 18986912
8-methoxy-N-(6-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
CID 651868
N-(3-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
CID 691567
(2-Methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 800911
8-ethoxy-2-oxo-N-(3-pyridinylmethyl)-2H-chromene-3-carboxamide
CID 1245033
N-(4-methylpyridin-2-yl)-2-oxochromene-3-carboxamide
CID 1523620
6-bromo-8-methoxy-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-2H-chromen-2-one
CID 2967551
(2-Ethoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878784

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one (CID 4964119) is 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one is COc1cccc2cc(C(=O)N3CCN(c4ccccn4)CC3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one?
The InChIKey is LUCWHOSVEZMKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-16-6-4-5-14-13-15(20(25)27-18(14)16)19(24)23-11-9-22(10-12-23)17-7-2-3-8-21-17/h2-8,13H,9-12H2,1H3.
What are the key properties of 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one?
8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one has a molecular weight of 365.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 4964119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).