quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride

C15H19ClN2O2 — CID 160803103

IUPACquinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride
SMILESCC(C)(CN)CC(=O)Oc1ccnc2ccccc12.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-15(2,10-16)9-14(18)19-13-7-8-17-12-6-4-3-5-11(12)13;/h3-8H,9-10,16H2,1-2H3;1H
InChIKeyOLHUSDJTZPDVJJ-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.94
Rot. Bonds4

About quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride

quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride (PubChem CID 160803103) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride.

Molecular Properties

Compound Namequinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride
PubChem CID160803103
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Namequinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride
SMILESCC(C)(CN)CC(=O)Oc1ccnc2ccccc12.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-15(2,10-16)9-14(18)19-13-7-8-17-12-6-4-3-5-11(12)13;/h3-8H,9-10,16H2,1-2H3;1H
InChIKeyOLHUSDJTZPDVJJ-UHFFFAOYSA-N
XLogP2.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

quinolin-4-yl propanoate
CID 174834385
4-O-tert-butyl 1-O-quinolin-4-yl butanedioate
CID 175434641
methyl 2-quinolin-4-yloxyacetate
CID 151479480
quinolin-4-yl prop-2-enoate
CID 59502728
4-(2-quinolin-4-yloxypropan-2-yl)quinoline
CID 173219055
4-(trifluoromethoxy)quinoline
CID 118835416
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
CID 103046046
3,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81014335
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate
CID 171618052

Frequently Asked Questions

What is the IUPAC name of quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride?
The IUPAC name of quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride (CID 160803103) is quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride.
What is the SMILES notation for quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride?
The canonical SMILES for quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride is CC(C)(CN)CC(=O)Oc1ccnc2ccccc12.Cl.
What is the InChIKey of quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride?
The InChIKey is OLHUSDJTZPDVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-15(2,10-16)9-14(18)19-13-7-8-17-12-6-4-3-5-11(12)13;/h3-8H,9-10,16H2,1-2H3;1H.
What are the key properties of quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride?
quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride is sourced from PubChem (CID 160803103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).