1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one

C14H19N3O2 — CID 62374705

IUPAC1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one
SMILESCCNCC(O)Cn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-15-8-11(18)9-17-13-7-5-4-6-12(13)16-10(2)14(17)19/h4-7,11,15,18H,3,8-9H2,1-2H3
InChIKeyGUFNOQLBCKMMAP-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.68
Rot. Bonds5

About 1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one

1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one (PubChem CID 62374705) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one
PubChem CID62374705
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one
SMILESCCNCC(O)Cn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-15-8-11(18)9-17-13-7-5-4-6-12(13)16-10(2)14(17)19/h4-7,11,15,18H,3,8-9H2,1-2H3
InChIKeyGUFNOQLBCKMMAP-UHFFFAOYSA-N
XLogP0.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one (CID 62374705) is 1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one is CCNCC(O)Cn1c(=O)c(C)nc2ccccc21.
What is the InChIKey of 1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one?
The InChIKey is GUFNOQLBCKMMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-15-8-11(18)9-17-13-7-5-4-6-12(13)16-10(2)14(17)19/h4-7,11,15,18H,3,8-9H2,1-2H3.
What are the key properties of 1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one?
1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 62374705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).