(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C19H20BrNO4 — CID 1183918

IUPAC(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCCc3ccccc32)c(Br)c(OC)c1OC
InChIInChI=1S/C19H20BrNO4/c1-23-15-11-13(16(20)18(25-3)17(15)24-2)19(22)21-10-6-8-12-7-4-5-9-14(12)21/h4-5,7,9,11H,6,8,10H2,1-3H3
InChIKeyBJAAJPZQXNAKDP-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.07
Rot. Bonds4

About (2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 1183918) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is (2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID1183918
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCCc3ccccc32)c(Br)c(OC)c1OC
InChIInChI=1S/C19H20BrNO4/c1-23-15-11-13(16(20)18(25-3)17(15)24-2)19(22)21-10-6-8-12-7-4-5-9-14(12)21/h4-5,7,9,11H,6,8,10H2,1-3H3
InChIKeyBJAAJPZQXNAKDP-UHFFFAOYSA-N
XLogP4.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone
CID 113206780
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108953427
3,4-dihydro-2H-quinolin-1-yl-(6-methoxy-1H-indol-3-yl)methanone
CID 113206601
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51160617
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113217131

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 1183918) is (2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is COc1cc(C(=O)N2CCCc3ccccc32)c(Br)c(OC)c1OC.
What is the InChIKey of (2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is BJAAJPZQXNAKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-23-15-11-13(16(20)18(25-3)17(15)24-2)19(22)21-10-6-8-12-7-4-5-9-14(12)21/h4-5,7,9,11H,6,8,10H2,1-3H3.
What are the key properties of (2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 406.28 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 1183918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).