3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride

C24H31ClN2O3 — CID 24845897

IUPAC3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride
SMILESCCN(CC)CCC1C(=O)c2ccccc2N=C1Cc1cc(OC)ccc1OC.Cl
InChIInChI=1S/C24H30N2O3.ClH/c1-5-26(6-2)14-13-20-22(25-21-10-8-7-9-19(21)24(20)27)16-17-15-18(28-3)11-12-23(17)29-4;/h7-12,15,20H,5-6,13-14,16H2,1-4H3;1H
InChIKeyFDDBXIQDMZSTJS-UHFFFAOYSA-N
MW430.98 g/mol
LogP4.99
Rot. Bonds9

About 3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride

3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride (PubChem CID 24845897) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride
PubChem CID24845897
Molecular FormulaC24H31ClN2O3
Molecular Weight430.98 g/mol
Exact Mass430.20
IUPAC Name3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride
SMILESCCN(CC)CCC1C(=O)c2ccccc2N=C1Cc1cc(OC)ccc1OC.Cl
InChIInChI=1S/C24H30N2O3.ClH/c1-5-26(6-2)14-13-20-22(25-21-10-8-7-9-19(21)24(20)27)16-17-15-18(28-3)11-12-23(17)29-4;/h7-12,15,20H,5-6,13-14,16H2,1-4H3;1H
InChIKeyFDDBXIQDMZSTJS-UHFFFAOYSA-N
XLogP4.99
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride?
The IUPAC name of 3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride (CID 24845897) is 3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride is CCN(CC)CCC1C(=O)c2ccccc2N=C1Cc1cc(OC)ccc1OC.Cl.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride?
The InChIKey is FDDBXIQDMZSTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3.ClH/c1-5-26(6-2)14-13-20-22(25-21-10-8-7-9-19(21)24(20)27)16-17-15-18(28-3)11-12-23(17)29-4;/h7-12,15,20H,5-6,13-14,16H2,1-4H3;1H.
What are the key properties of 3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride?
3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride has a molecular weight of 430.98 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-2-[(2,5-dimethoxyphenyl)methyl]-3H-quinolin-4-one;hydrochloride is sourced from PubChem (CID 24845897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).