1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C23H21N5O3 — CID 135894644

IUPAC1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESC=CCn1c(O)c(/N=N/C(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2ccccc21
InChIInChI=1S/C23H21N5O3/c1-4-12-28-18-9-7-6-8-15(18)19(23(28)31)25-26-22(30)17-13-27(5-2)21-16(20(17)29)11-10-14(3)24-21/h4,6-11,13,31H,1,5,12H2,2-3H3/b26-25+
InChIKeyUBWLHXQTUCHMRB-OCEACIFDSA-N
MW415.45 g/mol
LogP4.50
Rot. Bonds5

About 1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 135894644) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID135894644
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESC=CCn1c(O)c(/N=N/C(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2ccccc21
InChIInChI=1S/C23H21N5O3/c1-4-12-28-18-9-7-6-8-15(18)19(23(28)31)25-26-22(30)17-13-27(5-2)21-16(20(17)29)11-10-14(3)24-21/h4,6-11,13,31H,1,5,12H2,2-3H3/b26-25+
InChIKeyUBWLHXQTUCHMRB-OCEACIFDSA-N
XLogP4.50
TPSA101.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 135894644) is 1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is C=CCn1c(O)c(/N=N/C(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2ccccc21.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is UBWLHXQTUCHMRB-OCEACIFDSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-4-12-28-18-9-7-6-8-15(18)19(23(28)31)25-26-22(30)17-13-27(5-2)21-16(20(17)29)11-10-14(3)24-21/h4,6-11,13,31H,1,5,12H2,2-3H3/b26-25+.
What are the key properties of 1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135894644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).