1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride

C22H28ClN3O2 — CID 3043582

IUPAC1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride
SMILESCCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17;/h6-13H,4-5,14-16H2,1-3H3;1H
InChIKeyJRNWTJUIMRLKBV-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.76
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride

1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride (PubChem CID 3043582) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride
PubChem CID3043582
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride
SMILESCCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17;/h6-13H,4-5,14-16H2,1-3H3;1H
InChIKeyJRNWTJUIMRLKBV-UHFFFAOYSA-N
XLogP3.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Caroverine
CID 65709
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 937377
1,3,4,5-Tetrahydro-1-((4-methoxyphenyl)methyl)-2H-1-benzazepin-2-one
CID 1474984
3-[(4-Methoxyphenyl)methyl]-2(1H)-quinoxalinone
CID 9269643
2-(2-Methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 783653
3-(4-Ethoxyphenyl)-1-hydroxy-4-oxidoquinoxalin-4-ium-2-one
CID 948254
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 2669167
1-hydroxy-3-(4-propoxyphenyl)-2(1H)-quinoxalinone 4-oxide
CID 2987853
(3Z)-3-{2-[(4-methoxyphenyl)acetyl]hydrazinylidene}-N-methyl-N-phenylbutanamide
CID 6385478
1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phenyl)-3-methyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 15612145
3-Allyl-1-(2-dimethylamino-ethyl)-4-(4-methoxy-phenyl)-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 15612148
1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phenyl)-3-propyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 15612171

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride (CID 3043582) is 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride is CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21.Cl.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride?
The InChIKey is JRNWTJUIMRLKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17;/h6-13H,4-5,14-16H2,1-3H3;1H.
What are the key properties of 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride?
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride is sourced from PubChem (CID 3043582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).