N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C18H19BrN4 — CID 91094837

IUPACN-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESBrc1cccc2nc(CCNC3CCCc4cccnc43)cn12
InChIInChI=1S/C18H19BrN4/c19-16-7-2-8-17-22-14(12-23(16)17)9-11-20-15-6-1-4-13-5-3-10-21-18(13)15/h2-3,5,7-8,10,12,15,20H,1,4,6,9,11H2
InChIKeyUJLFDGXDWKKSTM-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 91094837) has the molecular formula C18H19BrN4 and a molecular weight of 371.28 g/mol. Its IUPAC name is N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID91094837
Molecular FormulaC18H19BrN4
Molecular Weight371.28 g/mol
Exact Mass370.08
IUPAC NameN-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESBrc1cccc2nc(CCNC3CCCc4cccnc43)cn12
InChIInChI=1S/C18H19BrN4/c19-16-7-2-8-17-22-14(12-23(16)17)9-11-20-15-6-1-4-13-5-3-10-21-18(13)15/h2-3,5,7-8,10,12,15,20H,1,4,6,9,11H2
InChIKeyUJLFDGXDWKKSTM-UHFFFAOYSA-N
XLogP3.70
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(8S)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 59761362
N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 80682877
N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079118
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
(8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 68974371
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 74539206
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 91094837) is N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is Brc1cccc2nc(CCNC3CCCc4cccnc43)cn12.
What is the InChIKey of N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is UJLFDGXDWKKSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4/c19-16-7-2-8-17-22-14(12-23(16)17)9-11-20-15-6-1-4-13-5-3-10-21-18(13)15/h2-3,5,7-8,10,12,15,20H,1,4,6,9,11H2.
What are the key properties of N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 371.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 91094837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).