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

C18H27N3O2 — CID 119747288

IUPAC7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H27N3O2/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)
InChIKeyTZHJHCCERDXZMV-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.99
Rot. Bonds8

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

7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide (PubChem CID 119747288) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
PubChem CID119747288
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H27N3O2/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)
InChIKeyTZHJHCCERDXZMV-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride
CID 119747287
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
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
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
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
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 119883298

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide (CID 119747288) is 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide is NCCCCCCC(=O)NCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide?
The InChIKey is TZHJHCCERDXZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/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).
What are the key properties of 7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide?
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide has a molecular weight of 317.43 g/mol, XLogP of 1.99, 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 is sourced from PubChem (CID 119747288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).