6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid

C16H19BrN2O4 — CID 136558173

IUPAC6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(=O)N2CCOCC2)c2ccc(Br)cc21
InChIInChI=1S/C16H19BrN2O4/c17-11-1-2-14-13(9-11)12(16(21)22)3-4-19(14)10-15(20)18-5-7-23-8-6-18/h1-2,9,12H,3-8,10H2,(H,21,22)
InChIKeyICQDZAUAGBKLHZ-UHFFFAOYSA-N
MW383.24 g/mol
LogP1.69
Rot. Bonds3

About 6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid

6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 136558173) has the molecular formula C16H19BrN2O4 and a molecular weight of 383.24 g/mol. Its IUPAC name is 6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID136558173
Molecular FormulaC16H19BrN2O4
Molecular Weight383.24 g/mol
Exact Mass382.05
IUPAC Name6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(=O)N2CCOCC2)c2ccc(Br)cc21
InChIInChI=1S/C16H19BrN2O4/c17-11-1-2-14-13(9-11)12(16(21)22)3-4-19(14)10-15(20)18-5-7-23-8-6-18/h1-2,9,12H,3-8,10H2,(H,21,22)
InChIKeyICQDZAUAGBKLHZ-UHFFFAOYSA-N
XLogP1.69
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136558160
3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
CID 43255083
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone
CID 178090894
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 104800515
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 1331148
7-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-3H-1,4-benzoxazin-2-one
CID 39069249
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686398
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
1-morpholin-4-yl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 64851994
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
CID 114337628

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 136558173) is 6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid is O=C(O)C1CCN(CC(=O)N2CCOCC2)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is ICQDZAUAGBKLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O4/c17-11-1-2-14-13(9-11)12(16(21)22)3-4-19(14)10-15(20)18-5-7-23-8-6-18/h1-2,9,12H,3-8,10H2,(H,21,22).
What are the key properties of 6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 383.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 136558173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).