N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride

C16H24ClN3O2 — CID 119430985

IUPACN-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
SMILESCNCCCNC(=O)CCC1Cc2ccccc2NC1=O.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-17-9-4-10-18-15(20)8-7-13-11-12-5-2-3-6-14(12)19-16(13)21;/h2-3,5-6,13,17H,4,7-11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyKTLUCPZXFVHCTC-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.73
Rot. Bonds7

About N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride

N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride (PubChem CID 119430985) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
PubChem CID119430985
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
SMILESCNCCCNC(=O)CCC1Cc2ccccc2NC1=O.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-17-9-4-10-18-15(20)8-7-13-11-12-5-2-3-6-14(12)19-16(13)21;/h2-3,5-6,13,17H,4,7-11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyKTLUCPZXFVHCTC-UHFFFAOYSA-N
XLogP1.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537762
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
N-(3-cyclohexyloxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18143021
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 86938671
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119619916
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119641049
N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142430
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride (CID 119430985) is N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride is CNCCCNC(=O)CCC1Cc2ccccc2NC1=O.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
The InChIKey is KTLUCPZXFVHCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-17-9-4-10-18-15(20)8-7-13-11-12-5-2-3-6-14(12)19-16(13)21;/h2-3,5-6,13,17H,4,7-11H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride?
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119430985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).