2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol

C14H18BrN3O2 — CID 106949605

IUPAC2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3O2/c1-20-7-5-18(4-6-19)13-3-2-12(16)11-8-10(15)9-17-14(11)13/h2-3,8-9,19H,4-7,16H2,1H3
InChIKeyHGCUSBVDRKWODU-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.02
Rot. Bonds6

About 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol

2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol (PubChem CID 106949605) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol
PubChem CID106949605
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3O2/c1-20-7-5-18(4-6-19)13-3-2-12(16)11-8-10(15)9-17-14(11)13/h2-3,8-9,19H,4-7,16H2,1H3
InChIKeyHGCUSBVDRKWODU-UHFFFAOYSA-N
XLogP2.02
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol with MolForge

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Related Compounds

1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol
CID 106949490
3-bromo-8-N-(cyclopropylmethyl)-8-N-propylquinoline-5,8-diamine
CID 106949079
2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
CID 114889791
3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 106949135
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
5-bromo-2-N-ethyl-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 61444777
2-[4-bromo-N-(2-methoxyethyl)-2-nitroanilino]ethanol
CID 115672573
3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine
CID 106949059
2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol
CID 106948402
6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
CID 43621365
4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243456
5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine
CID 54986753

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol (CID 106949605) is 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol is COCCN(CCO)c1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol?
The InChIKey is HGCUSBVDRKWODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-20-7-5-18(4-6-19)13-3-2-12(16)11-8-10(15)9-17-14(11)13/h2-3,8-9,19H,4-7,16H2,1H3.
What are the key properties of 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol?
2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol has a molecular weight of 340.22 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 106949605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).