7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride

C18H28ClN3O2 — CID 119747287

IUPAC7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H27N3O2.ClH/c19-12-6-2-1-3-11-17(22)20-14-18(23)21-13-7-9-15-8-4-5-10-16(15)21;/h4-5,8,10H,1-3,6-7,9,11-14,19H2,(H,20,22);1H
InChIKeyMPKHFLHIDIZCOY-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.41
Rot. Bonds8

About 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride

7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride (PubChem CID 119747287) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride
PubChem CID119747287
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H27N3O2.ClH/c19-12-6-2-1-3-11-17(22)20-14-18(23)21-13-7-9-15-8-4-5-10-16(15)21;/h4-5,8,10H,1-3,6-7,9,11-14,19H2,(H,20,22);1H
InChIKeyMPKHFLHIDIZCOY-UHFFFAOYSA-N
XLogP2.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288
7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
CID 119769035
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
CID 99217097
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
3-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 119950519
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride (CID 119747287) is 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride?
The InChIKey is MPKHFLHIDIZCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c19-12-6-2-1-3-11-17(22)20-14-18(23)21-13-7-9-15-8-4-5-10-16(15)21;/h4-5,8,10H,1-3,6-7,9,11-14,19H2,(H,20,22);1H.
What are the key properties of 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride?
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride is sourced from PubChem (CID 119747287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).