N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide

C21H19N3O3 — CID 137260205

IUPACN-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide
SMILESCCC1=CC(=O)NC2=C/C(=N/C(=O)c3cc4ccc(OC)cc4[nH]3)C=CC12
InChIInChI=1S/C21H19N3O3/c1-3-12-9-20(25)24-18-10-14(5-7-16(12)18)22-21(26)19-8-13-4-6-15(27-2)11-17(13)23-19/h4-11,16,23H,3H2,1-2H3,(H,24,25)/b22-14+
InChIKeyTVQQSBXKSVGLFZ-HYARGMPZSA-N
MW361.40 g/mol
LogP3.29
Rot. Bonds3

About N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide

N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide (PubChem CID 137260205) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide
PubChem CID137260205
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide
SMILESCCC1=CC(=O)NC2=C/C(=N/C(=O)c3cc4ccc(OC)cc4[nH]3)C=CC12
InChIInChI=1S/C21H19N3O3/c1-3-12-9-20(25)24-18-10-14(5-7-16(12)18)22-21(26)19-8-13-4-6-15(27-2)11-17(13)23-19/h4-11,16,23H,3H2,1-2H3,(H,24,25)/b22-14+
InChIKeyTVQQSBXKSVGLFZ-HYARGMPZSA-N
XLogP3.29
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide (CID 137260205) is N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide is CCC1=CC(=O)NC2=C/C(=N/C(=O)c3cc4ccc(OC)cc4[nH]3)C=CC12.
What is the InChIKey of N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is TVQQSBXKSVGLFZ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-3-12-9-20(25)24-18-10-14(5-7-16(12)18)22-21(26)19-8-13-4-6-15(27-2)11-17(13)23-19/h4-11,16,23H,3H2,1-2H3,(H,24,25)/b22-14+.
What are the key properties of N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide?
N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 137260205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).