6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione

C19H19N3O3 — CID 126808880

IUPAC6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC(NC1CCOc2ccccc21)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C19H19N3O3/c1-11(20-14-8-9-25-17-5-3-2-4-13(14)17)12-6-7-15-16(10-12)22-19(24)18(23)21-15/h2-7,10-11,14,20H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyQQSODQHYEWPZII-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.39
Rot. Bonds3

About 6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione

6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 126808880) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID126808880
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC(NC1CCOc2ccccc21)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C19H19N3O3/c1-11(20-14-8-9-25-17-5-3-2-4-13(14)17)12-6-7-15-16(10-12)22-19(24)18(23)21-15/h2-7,10-11,14,20H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyQQSODQHYEWPZII-UHFFFAOYSA-N
XLogP2.39
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81364817
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81366354
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
4-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]benzonitrile
CID 43692400
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395
N-[1-(1H-pyrazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 54881846
N-[1-(2,5-dichlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43723835
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 39496154
5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 65081705

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione (CID 126808880) is 6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione is CC(NC1CCOc2ccccc21)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is QQSODQHYEWPZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11(20-14-8-9-25-17-5-3-2-4-13(14)17)12-6-7-15-16(10-12)22-19(24)18(23)21-15/h2-7,10-11,14,20H,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 337.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 126808880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).