8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide

C20H20N3O5+ — CID 7224115

IUPAC8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc[nH+]c3N3CCOCC3)c(=O)oc12
InChIInChI=1S/C20H19N3O5/c1-26-16-6-2-4-13-12-14(20(25)28-17(13)16)19(24)22-15-5-3-7-21-18(15)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24)/p+1
InChIKeyYMRBDYWGMMRECM-UHFFFAOYSA-O
MW382.40 g/mol
LogP1.70
Rot. Bonds4

About 8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide

8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide (PubChem CID 7224115) has the molecular formula C20H20N3O5+ and a molecular weight of 382.40 g/mol. Its IUPAC name is 8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide
PubChem CID7224115
Molecular FormulaC20H20N3O5+
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc[nH+]c3N3CCOCC3)c(=O)oc12
InChIInChI=1S/C20H19N3O5/c1-26-16-6-2-4-13-12-14(20(25)28-17(13)16)19(24)22-15-5-3-7-21-18(15)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24)/p+1
InChIKeyYMRBDYWGMMRECM-UHFFFAOYSA-O
XLogP1.70
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 4614512
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide
CID 122321528
8-methoxy-2-oxo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 122282867

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide (CID 7224115) is 8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccc[nH+]c3N3CCOCC3)c(=O)oc12.
What is the InChIKey of 8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide?
The InChIKey is YMRBDYWGMMRECM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19N3O5/c1-26-16-6-2-4-13-12-14(20(25)28-17(13)16)19(24)22-15-5-3-7-21-18(15)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24)/p+1.
What are the key properties of 8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide?
8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 7224115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).