8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C22H28Cl2N2O4 — CID 70509612

IUPAC8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCOc1ccc(C(C)NC(C)C(O)c2cc(Cl)c3c(c2)CCC(=O)N3)cc1OC.Cl
InChIInChI=1S/C22H27ClN2O4.ClH/c1-12(14-5-7-18(28-3)19(11-14)29-4)24-13(2)22(27)16-9-15-6-8-20(26)25-21(15)17(23)10-16;/h5,7,9-13,22,24,27H,6,8H2,1-4H3,(H,25,26);1H
InChIKeyBFJCZLWYTFSLRZ-UHFFFAOYSA-N
MW455.38 g/mol
LogP4.44
Rot. Bonds7

About 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 70509612) has the molecular formula C22H28Cl2N2O4 and a molecular weight of 455.38 g/mol. Its IUPAC name is 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID70509612
Molecular FormulaC22H28Cl2N2O4
Molecular Weight455.38 g/mol
Exact Mass454.14
IUPAC Name8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCOc1ccc(C(C)NC(C)C(O)c2cc(Cl)c3c(c2)CCC(=O)N3)cc1OC.Cl
InChIInChI=1S/C22H27ClN2O4.ClH/c1-12(14-5-7-18(28-3)19(11-14)29-4)24-13(2)22(27)16-9-15-6-8-20(26)25-21(15)17(23)10-16;/h5,7,9-13,22,24,27H,6,8H2,1-4H3,(H,25,26);1H
InChIKeyBFJCZLWYTFSLRZ-UHFFFAOYSA-N
XLogP4.44
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.38
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride with MolForge

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Related Compounds

8-chloro-6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 70509615
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
methyl (2S)-2-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanoate
CID 43452132
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 82314361
4-chloro-N-[1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55595814
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
methyl 2-[1-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 115353213
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119720011
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 78853112

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 70509612) is 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is COc1ccc(C(C)NC(C)C(O)c2cc(Cl)c3c(c2)CCC(=O)N3)cc1OC.Cl.
What is the InChIKey of 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is BFJCZLWYTFSLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4.ClH/c1-12(14-5-7-18(28-3)19(11-14)29-4)24-13(2)22(27)16-9-15-6-8-20(26)25-21(15)17(23)10-16;/h5,7,9-13,22,24,27H,6,8H2,1-4H3,(H,25,26);1H.
What are the key properties of 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 455.38 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 70509612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).