2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide

C16H25N3O2 — CID 62264814

IUPAC2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCCc2ccc(N)cc21
InChIInChI=1S/C16H25N3O2/c1-12(16(20)18-8-4-10-21-2)19-9-3-5-13-6-7-14(17)11-15(13)19/h6-7,11-12H,3-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyMUWIMJPEMYVJGH-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.56
Rot. Bonds6

About 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide

2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide (PubChem CID 62264814) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide
PubChem CID62264814
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCCc2ccc(N)cc21
InChIInChI=1S/C16H25N3O2/c1-12(16(20)18-8-4-10-21-2)19-9-3-5-13-6-7-14(17)11-15(13)19/h6-7,11-12H,3-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyMUWIMJPEMYVJGH-UHFFFAOYSA-N
XLogP1.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)propanamide
CID 137637884
N-(2,4-dimethylphenyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 1912438
ethoxy-N-[5-(2-piperidylacetyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]carboxamide
CID 1129891
Carbamic acid, (5-((ethylamino)acetyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester
CID 1645708
N-tert-butyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 648838
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188235
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
CID 122188236
N-[[(2R)-1-benzyl-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide
CID 122188237
N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188347
N-[(1-propyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
CID 122188349

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide (CID 62264814) is 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N1CCCc2ccc(N)cc21.
What is the InChIKey of 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide?
The InChIKey is MUWIMJPEMYVJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(16(20)18-8-4-10-21-2)19-9-3-5-13-6-7-14(17)11-15(13)19/h6-7,11-12H,3-5,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide?
2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 62264814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).