1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine

C15H20N4 — CID 61493848

IUPAC1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
SMILESCc1nccn1CCN1CCCc2cccc(N)c21
InChIInChI=1S/C15H20N4/c1-12-17-7-9-18(12)10-11-19-8-3-5-13-4-2-6-14(16)15(13)19/h2,4,6-7,9H,3,5,8,10-11,16H2,1H3
InChIKeyDZFXTBHDIRTHLS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.23
Rot. Bonds3

About 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine

1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine (PubChem CID 61493848) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine.

Molecular Properties

Compound Name1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
PubChem CID61493848
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
SMILESCc1nccn1CCN1CCCc2cccc(N)c21
InChIInChI=1S/C15H20N4/c1-12-17-7-9-18(12)10-11-19-8-3-5-13-4-2-6-14(16)15(13)19/h2,4,6-7,9H,3,5,8,10-11,16H2,1H3
InChIKeyDZFXTBHDIRTHLS-UHFFFAOYSA-N
XLogP2.23
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-3,4-dihydro-2H-quinolin-8-amine
CID 63462485
1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662559
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336954
1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one
CID 104601287
2-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 112706164
1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 54961512
N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 61492891
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 62101802
1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine
CID 114201164
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide
CID 61489791
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide
CID 61357996
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine?
The IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine (CID 61493848) is 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine.
What is the SMILES notation for 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine?
The canonical SMILES for 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine is Cc1nccn1CCN1CCCc2cccc(N)c21.
What is the InChIKey of 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine?
The InChIKey is DZFXTBHDIRTHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-17-7-9-18(12)10-11-19-8-3-5-13-4-2-6-14(16)15(13)19/h2,4,6-7,9H,3,5,8,10-11,16H2,1H3.
What are the key properties of 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine?
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine has a molecular weight of 256.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine is sourced from PubChem (CID 61493848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).