7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide

C21H20N2O5 — CID 51998270

IUPAC7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)oc2c1
InChIInChI=1S/C21H20N2O5/c1-26-16-6-7-17-18(24)13-20(28-19(17)12-16)21(25)22-14-2-4-15(5-3-14)23-8-10-27-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChIKeyNFAFMVFQMNCHHN-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.89
Rot. Bonds4

About 7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide

7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide (PubChem CID 51998270) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
PubChem CID51998270
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)oc2c1
InChIInChI=1S/C21H20N2O5/c1-26-16-6-7-17-18(24)13-20(28-19(17)12-16)21(25)22-14-2-4-15(5-3-14)23-8-10-27-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChIKeyNFAFMVFQMNCHHN-UHFFFAOYSA-N
XLogP2.89
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
CID 51998176
6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 23533312
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
6-ethoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 23533300
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide
CID 172651926
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide
CID 172651943
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 25411338
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 42903694
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of 7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide (CID 51998270) is 7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide is COc1ccc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)oc2c1.
What is the InChIKey of 7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is NFAFMVFQMNCHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-26-16-6-7-17-18(24)13-20(28-19(17)12-16)21(25)22-14-2-4-15(5-3-14)23-8-10-27-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,22,25).
What are the key properties of 7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide?
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 51998270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).