(3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H18N2O5 — CID 141466061

IUPAC(3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESC#CCOc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H18N2O5/c1-5-10-28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-11-16(25-2)20(27-4)17(12-13)26-3/h1,6-9,11-12H,10H2,2-4H3
InChIKeyWBTYXDXRZGWYHC-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.90
Rot. Bonds7

About (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466061) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466061
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name(3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESC#CCOc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H18N2O5/c1-5-10-28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-11-16(25-2)20(27-4)17(12-13)26-3/h1,6-9,11-12H,10H2,2-4H3
InChIKeyWBTYXDXRZGWYHC-UHFFFAOYSA-N
XLogP2.90
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

Quinolin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 21815820
(3-Methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466049
(3-Prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466058
[3-(2-Methylpropoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141466065
(3-Propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466071
(3-Morpholin-4-ylquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466073
(3-Butan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466077
(3-But-3-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466080
(3-Propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466081
[3-(Methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141466048
(3-Phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466050
(3-Butoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466055

Frequently Asked Questions

What is the IUPAC name of (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 141466061) is (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is C#CCOc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WBTYXDXRZGWYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-5-10-28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-11-16(25-2)20(27-4)17(12-13)26-3/h1,6-9,11-12H,10H2,2-4H3.
What are the key properties of (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 378.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).