6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C15H22Cl2N2O2 — CID 70510329

IUPAC6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCC(C)(C)NCC(O)c1cc(Cl)c2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-15(2,3)17-8-12(19)10-6-9-4-5-13(20)18-14(9)11(16)7-10;/h6-7,12,17,19H,4-5,8H2,1-3H3,(H,18,20);1H
InChIKeyWIJCILFLYOZDOS-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.07
Rot. Bonds3

About 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride

6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 70510329) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID70510329
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCC(C)(C)NCC(O)c1cc(Cl)c2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-15(2,3)17-8-12(19)10-6-9-4-5-13(20)18-14(9)11(16)7-10;/h6-7,12,17,19H,4-5,8H2,1-3H3,(H,18,20);1H
InChIKeyWIJCILFLYOZDOS-UHFFFAOYSA-N
XLogP3.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride with MolForge

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Related Compounds

8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174090
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518
8-chloro-6-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 70509612
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
8-chloro-6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 70509615
1-(4-amino-3-chloro-5-nitrophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 3027608
6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82190791
4-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichloroanilino]butanoic acid
CID 52933040
7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174111
1-[3,5-bis(sulfanyl)phenyl]-2-(tert-butylamino)ethanol
CID 165378100
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]-3-phenylurea
CID 12861527

Frequently Asked Questions

What is the IUPAC name of 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 70510329) is 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride is CC(C)(C)NCC(O)c1cc(Cl)c2c(c1)CCC(=O)N2.Cl.
What is the InChIKey of 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is WIJCILFLYOZDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-15(2,3)17-8-12(19)10-6-9-4-5-13(20)18-14(9)11(16)7-10;/h6-7,12,17,19H,4-5,8H2,1-3H3,(H,18,20);1H.
What are the key properties of 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 70510329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).