4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid

C19H20N2O4 — CID 20567400

IUPAC4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid
SMILESCCC(=O)Nc1cc2c3c(c1)c(=O)c(C(=O)O)cn3C1CCCCC21
InChIInChI=1S/C19H20N2O4/c1-2-16(22)20-10-7-12-11-5-3-4-6-15(11)21-9-14(19(24)25)18(23)13(8-10)17(12)21/h7-9,11,15H,2-6H2,1H3,(H,20,22)(H,24,25)
InChIKeyLRDBNJYOTWYPFO-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.26
Rot. Bonds3

About 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid

4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid (PubChem CID 20567400) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid
PubChem CID20567400
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid
SMILESCCC(=O)Nc1cc2c3c(c1)c(=O)c(C(=O)O)cn3C1CCCCC21
InChIInChI=1S/C19H20N2O4/c1-2-16(22)20-10-7-12-11-5-3-4-6-15(11)21-9-14(19(24)25)18(23)13(8-10)17(12)21/h7-9,11,15H,2-6H2,1H3,(H,20,22)(H,24,25)
InChIKeyLRDBNJYOTWYPFO-UHFFFAOYSA-N
XLogP3.26
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid with MolForge

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Related Compounds

7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid
CID 20567403
ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate
CID 20567393
7-fluoro-10,12-dimethyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
CID 21445360
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
8-chloro-6-fluoro-1-[(1S,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 142660303
8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 22866889
7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
CID 102513034
7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide
CID 70569034
2-(3-methylpiperidin-1-yl)-5-(propanoylamino)benzoic acid
CID 50807477
1-cyclopropyl-6-fluoro-4-oxo-8-propyl-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 143890841
7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 122197409
7-[2-(2-hydroxyethoxy)ethylamino]-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
CID 68938631

Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid?
The IUPAC name of 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid (CID 20567400) is 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid.
What is the SMILES notation for 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid?
The canonical SMILES for 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid is CCC(=O)Nc1cc2c3c(c1)c(=O)c(C(=O)O)cn3C1CCCCC21.
What is the InChIKey of 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid?
The InChIKey is LRDBNJYOTWYPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-16(22)20-10-7-12-11-5-3-4-6-15(11)21-9-14(19(24)25)18(23)13(8-10)17(12)21/h7-9,11,15H,2-6H2,1H3,(H,20,22)(H,24,25).
What are the key properties of 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid?
4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7-(propanoylamino)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid is sourced from PubChem (CID 20567400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).