1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine

C15H20N4 — CID 61493158

IUPAC1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2CCCn1ccnc1
InChIInChI=1S/C15H20N4/c16-14-4-5-15-13(11-14)3-1-8-19(15)9-2-7-18-10-6-17-12-18/h4-6,10-12H,1-3,7-9,16H2
InChIKeyRWBVTYMUUGGWFU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.31
Rot. Bonds4

About 1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine

1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 61493158) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine
PubChem CID61493158
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2CCCn1ccnc1
InChIInChI=1S/C15H20N4/c16-14-4-5-15-13(11-14)3-1-8-19(15)9-2-7-18-10-6-17-12-18/h4-6,10-12H,1-3,7-9,16H2
InChIKeyRWBVTYMUUGGWFU-UHFFFAOYSA-N
XLogP2.31
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine (CID 61493158) is 1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine is Nc1ccc2c(c1)CCCN2CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is RWBVTYMUUGGWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-14-4-5-15-13(11-14)3-1-8-19(15)9-2-7-18-10-6-17-12-18/h4-6,10-12H,1-3,7-9,16H2.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine?
1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 256.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 61493158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).