2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride

C15H22ClN3O2 — CID 70682564

IUPAC2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
SMILESCC(C)(C)NCC(=O)Nc1cccc2c1CCC(=O)N2.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-15(2,3)16-9-14(20)18-12-6-4-5-11-10(12)7-8-13(19)17-11;/h4-6,16H,7-9H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeySBDJXWHDDGCDOR-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.32
Rot. Bonds3

About 2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride

2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride (PubChem CID 70682564) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
PubChem CID70682564
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
SMILESCC(C)(C)NCC(=O)Nc1cccc2c1CCC(=O)N2.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-15(2,3)16-9-14(20)18-12-6-4-5-11-10(12)7-8-13(19)17-11;/h4-6,16H,7-9H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeySBDJXWHDDGCDOR-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride (CID 70682564) is 2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride is CC(C)(C)NCC(=O)Nc1cccc2c1CCC(=O)N2.Cl.
What is the InChIKey of 2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride?
The InChIKey is SBDJXWHDDGCDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-15(2,3)16-9-14(20)18-12-6-4-5-11-10(12)7-8-13(19)17-11;/h4-6,16H,7-9H2,1-3H3,(H,17,19)(H,18,20);1H.
What are the key properties of 2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride?
2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 70682564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).