(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone

C19H20BrNO3 — CID 55916686

IUPAC(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCCc3cc(Br)ccc32)cc1OC
InChIInChI=1S/C19H20BrNO3/c1-3-24-17-9-6-14(12-18(17)23-2)19(22)21-10-4-5-13-11-15(20)7-8-16(13)21/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyXVTHAIMJCHPVHP-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.45
Rot. Bonds4

About (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone

(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone (PubChem CID 55916686) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
PubChem CID55916686
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCCc3cc(Br)ccc32)cc1OC
InChIInChI=1S/C19H20BrNO3/c1-3-24-17-9-6-14(12-18(17)23-2)19(22)21-10-4-5-13-11-15(20)7-8-16(13)21/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyXVTHAIMJCHPVHP-UHFFFAOYSA-N
XLogP4.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxy-3-methoxyphenyl)-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55433921
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202
5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 52770474
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 43823652
(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24696393
2-[2-ethoxy-4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 43059989
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929
2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 42997091
(4-ethoxy-3-nitrophenyl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872658
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 55777968

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone?
The IUPAC name of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone (CID 55916686) is (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone.
What is the SMILES notation for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone?
The canonical SMILES for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCCc3cc(Br)ccc32)cc1OC.
What is the InChIKey of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone?
The InChIKey is XVTHAIMJCHPVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-3-24-17-9-6-14(12-18(17)23-2)19(22)21-10-4-5-13-11-15(20)7-8-16(13)21/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone?
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone has a molecular weight of 390.28 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 55916686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).