(E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid

C19H19N3O3 — CID 59198720

IUPAC(E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc2c(c1)[nH]c(=O)c1cnc(C3CCCCC3)n12
InChIInChI=1S/C19H19N3O3/c23-17(24)9-7-12-6-8-15-14(10-12)21-19(25)16-11-20-18(22(15)16)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,21,25)(H,23,24)/b9-7+
InChIKeyAZIURDYOVNCNHO-VQHVLOKHSA-N
MW337.38 g/mol
LogP3.32
Rot. Bonds3

About (E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid

(E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid (PubChem CID 59198720) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid
PubChem CID59198720
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc2c(c1)[nH]c(=O)c1cnc(C3CCCCC3)n12
InChIInChI=1S/C19H19N3O3/c23-17(24)9-7-12-6-8-15-14(10-12)21-19(25)16-11-20-18(22(15)16)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,21,25)(H,23,24)/b9-7+
InChIKeyAZIURDYOVNCNHO-VQHVLOKHSA-N
XLogP3.32
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid (CID 59198720) is (E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid is O=C(O)/C=C/c1ccc2c(c1)[nH]c(=O)c1cnc(C3CCCCC3)n12.
What is the InChIKey of (E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid?
The InChIKey is AZIURDYOVNCNHO-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-17(24)9-7-12-6-8-15-14(10-12)21-19(25)16-11-20-18(22(15)16)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,21,25)(H,23,24)/b9-7+.
What are the key properties of (E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid?
(E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid is sourced from PubChem (CID 59198720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).