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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Related Compounds

7-amino-1-(3-imidazol-1-ylpropyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 61494690
6-(6-amino-3,4-dihydro-2H-quinolin-1-yl)hexan-1-ol
CID 107704010
1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 113326478
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol
CID 59090152
1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957573
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 55108489
1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine
CID 114473358
1-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957754
1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724117
4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 47080367
1-heptyl-3,4-dihydro-2H-quinolin-7-amine
CID 62265158
5-(7-amino-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 55055575

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).