8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride

C10H13BrClNO — CID 121231740

IUPAC8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCOc1cc(Br)c2c(c1)CCCN2.Cl
InChIInChI=1S/C10H12BrNO.ClH/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8;/h5-6,12H,2-4H2,1H3;1H
InChIKeyWAVCNFNKWYHKCZ-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.24
Rot. Bonds1

About 8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride

8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 121231740) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID121231740
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCOc1cc(Br)c2c(c1)CCCN2.Cl
InChIInChI=1S/C10H12BrNO.ClH/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8;/h5-6,12H,2-4H2,1H3;1H
InChIKeyWAVCNFNKWYHKCZ-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate
CID 14522156
methyl 3-(8-bromo-1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 99991424
8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 155102640
7-bromo-5-methyl-2,3-dihydro-1H-indole
CID 16789330
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 119053876
6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline
CID 16791217
4-bromo-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 82860022
7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
CID 102526280
7,8-dibromo-1,2,3,4-tetrahydroquinoline
CID 70471236
8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 115505142
6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline
CID 142307156
8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine
CID 84656610

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 121231740) is 8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride is COc1cc(Br)c2c(c1)CCCN2.Cl.
What is the InChIKey of 8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is WAVCNFNKWYHKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO.ClH/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8;/h5-6,12H,2-4H2,1H3;1H.
What are the key properties of 8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride?
8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 278.58 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 121231740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).