N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

C19H23N3O3 — CID 171538069

IUPACN-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESC=C/C=C(\C=C)CNC(=O)c1ccc2c(c1)NC(=O)C(C(C)(C)O)N2
InChIInChI=1S/C19H23N3O3/c1-5-7-12(6-2)11-20-17(23)13-8-9-14-15(10-13)22-18(24)16(21-14)19(3,4)25/h5-10,16,21,25H,1-2,11H2,3-4H3,(H,20,23)(H,22,24)/b12-7+
InChIKeyKFIMVPWTMHWGCB-KPKJPENVSA-N
MW341.41 g/mol
LogP2.22
Rot. Bonds6

About N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 171538069) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID171538069
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESC=C/C=C(\C=C)CNC(=O)c1ccc2c(c1)NC(=O)C(C(C)(C)O)N2
InChIInChI=1S/C19H23N3O3/c1-5-7-12(6-2)11-20-17(23)13-8-9-14-15(10-13)22-18(24)16(21-14)19(3,4)25/h5-10,16,21,25H,1-2,11H2,3-4H3,(H,20,23)(H,22,24)/b12-7+
InChIKeyKFIMVPWTMHWGCB-KPKJPENVSA-N
XLogP2.22
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 171538069) is N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is C=C/C=C(\C=C)CNC(=O)c1ccc2c(c1)NC(=O)C(C(C)(C)O)N2.
What is the InChIKey of N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is KFIMVPWTMHWGCB-KPKJPENVSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-5-7-12(6-2)11-20-17(23)13-8-9-14-15(10-13)22-18(24)16(21-14)19(3,4)25/h5-10,16,21,25H,1-2,11H2,3-4H3,(H,20,23)(H,22,24)/b12-7+.
What are the key properties of N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 171538069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).