N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride

C18H28ClN3O2 — CID 119641049

IUPACN-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCC1Cc2ccccc2NC1=O.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-3-18(19,4-2)12-20-16(22)10-9-14-11-13-7-5-6-8-15(13)21-17(14)23;/h5-8,14H,3-4,9-12,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyNVEHEGHOBVFUMI-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.63
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride (PubChem CID 119641049) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
PubChem CID119641049
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCC1Cc2ccccc2NC1=O.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-3-18(19,4-2)12-20-16(22)10-9-14-11-13-7-5-6-8-15(13)21-17(14)23;/h5-8,14H,3-4,9-12,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyNVEHEGHOBVFUMI-UHFFFAOYSA-N
XLogP2.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride (CID 119641049) is N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCC1Cc2ccccc2NC1=O.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
The InChIKey is NVEHEGHOBVFUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-3-18(19,4-2)12-20-16(22)10-9-14-11-13-7-5-6-8-15(13)21-17(14)23;/h5-8,14H,3-4,9-12,19H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119641049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).