(2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline

C15H15BrClNO2 — CID 1427502

IUPAC(2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline
SMILESCOc1ccc2nc(C)c3c(c2c1)O[C@H]([C@@](C)(Cl)Br)C3
InChIInChI=1S/C15H15BrClNO2/c1-8-10-7-13(15(2,16)17)20-14(10)11-6-9(19-3)4-5-12(11)18-8/h4-6,13H,7H2,1-3H3/t13-,15+/m0/s1
InChIKeyLGFBGYAWBRSPFU-DZGCQCFKSA-N
MW356.65 g/mol
LogP4.21
Rot. Bonds2

About (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline

(2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline (PubChem CID 1427502) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline
PubChem CID1427502
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name(2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline
SMILESCOc1ccc2nc(C)c3c(c2c1)O[C@H]([C@@](C)(Cl)Br)C3
InChIInChI=1S/C15H15BrClNO2/c1-8-10-7-13(15(2,16)17)20-14(10)11-6-9(19-3)4-5-12(11)18-8/h4-6,13H,7H2,1-3H3/t13-,15+/m0/s1
InChIKeyLGFBGYAWBRSPFU-DZGCQCFKSA-N
XLogP4.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline with MolForge

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Related Compounds

2-(1-bromo-1-chloroethyl)-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline
CID 2877200
8-methoxy-2,4-dimethyl-2,3-dihydrofuro[3,2-c]quinoline
CID 2877133
6-methoxy-2,4-dimethylquinolin-3-ol
CID 123803220
2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline
CID 3123578
2-bromo-6-methoxy-4-methylquinazoline
CID 84804344
2-(6-methoxy-2-methylquinolin-4-yl)propan-2-ol
CID 82449762
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)hydroxylamine
CID 21192892
1-cyclohexyl-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 16727238
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 16727241
3-iodo-6-methoxy-2-methylquinolin-4-amine
CID 121236710
1-(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82451979
(8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine
CID 139095651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline?
The IUPAC name of (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline (CID 1427502) is (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline.
What is the SMILES notation for (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline?
The canonical SMILES for (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline is COc1ccc2nc(C)c3c(c2c1)O[C@H]([C@@](C)(Cl)Br)C3.
What is the InChIKey of (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline?
The InChIKey is LGFBGYAWBRSPFU-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-8-10-7-13(15(2,16)17)20-14(10)11-6-9(19-3)4-5-12(11)18-8/h4-6,13H,7H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline?
(2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline has a molecular weight of 356.65 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline is sourced from PubChem (CID 1427502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).