N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide

C25H18N2O4 — CID 86650416

IUPACN-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(-c4ccc5[nH]ccc5c4)c3)c(=O)oc12
InChIInChI=1S/C25H18N2O4/c1-30-22-7-3-5-18-14-20(25(29)31-23(18)22)24(28)27-19-6-2-4-15(13-19)16-8-9-21-17(12-16)10-11-26-21/h2-14,26H,1H3,(H,27,28)
InChIKeyIHMDRWYRDGTOOF-UHFFFAOYSA-N
MW410.43 g/mol
LogP5.20
Rot. Bonds4

About N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide

N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 86650416) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID86650416
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC NameN-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(-c4ccc5[nH]ccc5c4)c3)c(=O)oc12
InChIInChI=1S/C25H18N2O4/c1-30-22-7-3-5-18-14-20(25(29)31-23(18)22)24(28)27-19-6-2-4-15(13-19)16-8-9-21-17(12-16)10-11-26-21/h2-14,26H,1H3,(H,27,28)
InChIKeyIHMDRWYRDGTOOF-UHFFFAOYSA-N
XLogP5.20
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide
CID 86650395
tert-butyl 2-[3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]phenyl]pyrrole-1-carboxylate
CID 86650467
8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide
CID 86650444
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide
CID 27701547
N-[3-(4-ethoxy-3-methylphenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650388
8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide
CID 26458989
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide
CID 86650382
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide (CID 86650416) is N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(-c4ccc5[nH]ccc5c4)c3)c(=O)oc12.
What is the InChIKey of N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is IHMDRWYRDGTOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4/c1-30-22-7-3-5-18-14-20(25(29)31-23(18)22)24(28)27-19-6-2-4-15(13-19)16-8-9-21-17(12-16)10-11-26-21/h2-14,26H,1H3,(H,27,28).
What are the key properties of N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 86650416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).