N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide

C20H15N3O2 — CID 166083848

IUPACN-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide
SMILESC=Cc1nc(C(=O)NCc2ccc3c(ccc4ccccc43)n2)co1
InChIInChI=1S/C20H15N3O2/c1-2-19-23-18(12-25-19)20(24)21-11-14-8-9-16-15-6-4-3-5-13(15)7-10-17(16)22-14/h2-10,12H,1,11H2,(H,21,24)
InChIKeyMEAMHXYAZPPKMI-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.95
Rot. Bonds4

About N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide

N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide (PubChem CID 166083848) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide
PubChem CID166083848
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide
SMILESC=Cc1nc(C(=O)NCc2ccc3c(ccc4ccccc43)n2)co1
InChIInChI=1S/C20H15N3O2/c1-2-19-23-18(12-25-19)20(24)21-11-14-8-9-16-15-6-4-3-5-13(15)7-10-17(16)22-14/h2-10,12H,1,11H2,(H,21,24)
InChIKeyMEAMHXYAZPPKMI-UHFFFAOYSA-N
XLogP3.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(3H-benzo[e]benzimidazol-2-yl)ethylamino]ethyl]-N-(benzo[f]quinolin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 171770140
N-[[4-[ethenyl-(methylideneamino)amino]phenyl]methyl]benzamide
CID 142316941
2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 172811861
2-oxo-N-(quinolin-2-ylmethyl)chromene-3-carboxamide
CID 110745561
phenanthrene;prop-2-enoic acid
CID 88600118
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378
3-methoxy-N-(quinolin-2-ylmethyl)benzamide
CID 110734068
4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide
CID 71936715
2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide
CID 175812795
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3807008

Frequently Asked Questions

What is the IUPAC name of N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide (CID 166083848) is N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide is C=Cc1nc(C(=O)NCc2ccc3c(ccc4ccccc43)n2)co1.
What is the InChIKey of N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide?
The InChIKey is MEAMHXYAZPPKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-2-19-23-18(12-25-19)20(24)21-11-14-8-9-16-15-6-4-3-5-13(15)7-10-17(16)22-14/h2-10,12H,1,11H2,(H,21,24).
What are the key properties of N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide?
N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166083848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).