8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one

C20H19N3O5 — CID 71799381

IUPAC8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCC(Oc4cccnn4)CC3)c(=O)oc12
InChIInChI=1S/C20H19N3O5/c1-26-16-5-2-4-13-12-15(20(25)28-18(13)16)19(24)23-10-7-14(8-11-23)27-17-6-3-9-21-22-17/h2-6,9,12,14H,7-8,10-11H2,1H3
InChIKeySNORAROWFWXKFQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.28
Rot. Bonds4

About 8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one

8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one (PubChem CID 71799381) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one
PubChem CID71799381
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCC(Oc4cccnn4)CC3)c(=O)oc12
InChIInChI=1S/C20H19N3O5/c1-26-16-5-2-4-13-12-15(20(25)28-18(13)16)19(24)23-10-7-14(8-11-23)27-17-6-3-9-21-22-17/h2-6,9,12,14H,7-8,10-11H2,1H3
InChIKeySNORAROWFWXKFQ-UHFFFAOYSA-N
XLogP2.28
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-8-methoxychromen-2-one
CID 121017574
3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 2146242
8-methoxy-3-[(3R)-3-(triazol-1-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 99987932
8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one
CID 121195530
1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 26462498
2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252443
8-methoxy-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]chromen-2-one
CID 122251462
8-methoxy-3-(7-phenyl-1,4-thiazepane-4-carbonyl)chromen-2-one
CID 72720367
3-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 1070822
3-(2,6-dimethylpiperidine-1-carbonyl)-8-methoxychromen-2-one
CID 3137792

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one (CID 71799381) is 8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one is COc1cccc2cc(C(=O)N3CCC(Oc4cccnn4)CC3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one?
The InChIKey is SNORAROWFWXKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-16-5-2-4-13-12-15(20(25)28-18(13)16)19(24)23-10-7-14(8-11-23)27-17-6-3-9-21-22-17/h2-6,9,12,14H,7-8,10-11H2,1H3.
What are the key properties of 8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one?
8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one has a molecular weight of 381.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 71799381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).