(2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid

C18H16BrNO4 — CID 154803661

IUPAC(2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESO=C(O)[C@H]1CCc2cc(Br)ccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H16BrNO4/c19-14-7-9-15-13(10-14)6-8-16(17(21)22)20(15)18(23)24-11-12-4-2-1-3-5-12/h1-5,7,9-10,16H,6,8,11H2,(H,21,22)/t16-/m1/s1
InChIKeyMYPJUKYNPMIGAF-MRXNPFEDSA-N
MW390.23 g/mol
LogP3.99
Rot. Bonds3

About (2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid

(2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid (PubChem CID 154803661) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is (2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
PubChem CID154803661
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name(2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESO=C(O)[C@H]1CCc2cc(Br)ccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H16BrNO4/c19-14-7-9-15-13(10-14)6-8-16(17(21)22)20(15)18(23)24-11-12-4-2-1-3-5-12/h1-5,7,9-10,16H,6,8,11H2,(H,21,22)/t16-/m1/s1
InChIKeyMYPJUKYNPMIGAF-MRXNPFEDSA-N
XLogP3.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
benzyl 6-bromo-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590041
benzyl 4-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)methyl]piperidine-1-carboxylate
CID 118355004
benzyl 7-bromo-6-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590308
6-methyl-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 165438393
6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 165438394
1-benzyl-5-bromo-2,3-dihydroindole-2-carboxylic acid
CID 22106730
benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590302
benzyl 6-bromo-7-methoxy-2-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589238
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
benzyl 2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141123853
1-(6-bromo-2-phosphanylcarbonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 90346511

Frequently Asked Questions

What is the IUPAC name of (2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The IUPAC name of (2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid (CID 154803661) is (2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid.
What is the SMILES notation for (2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The canonical SMILES for (2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid is O=C(O)[C@H]1CCc2cc(Br)ccc2N1C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The InChIKey is MYPJUKYNPMIGAF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16BrNO4/c19-14-7-9-15-13(10-14)6-8-16(17(21)22)20(15)18(23)24-11-12-4-2-1-3-5-12/h1-5,7,9-10,16H,6,8,11H2,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
(2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid has a molecular weight of 390.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid is sourced from PubChem (CID 154803661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).