(2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C12H12Cl2N2O3 — CID 15168508

IUPAC(2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCC(=O)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H12Cl2N2O3/c1-5(17)15-9-4-10(12(18)19)16-8-3-6(13)2-7(14)11(8)9/h2-3,9-10,16H,4H2,1H3,(H,15,17)(H,18,19)/t9-,10+/m0/s1
InChIKeyMRSNQAYYAZMIFI-VHSXEESVSA-N
MW303.15 g/mol
LogP2.44
Rot. Bonds2

About (2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

(2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 15168508) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.15 g/mol. Its IUPAC name is (2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID15168508
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name(2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCC(=O)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H12Cl2N2O3/c1-5(17)15-9-4-10(12(18)19)16-8-3-6(13)2-7(14)11(8)9/h2-3,9-10,16H,4H2,1H3,(H,15,17)(H,18,19)/t9-,10+/m0/s1
InChIKeyMRSNQAYYAZMIFI-VHSXEESVSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 15168508) is (2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is CC(=O)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21.
What is the InChIKey of (2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is MRSNQAYYAZMIFI-VHSXEESVSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c1-5(17)15-9-4-10(12(18)19)16-8-3-6(13)2-7(14)11(8)9/h2-3,9-10,16H,4H2,1H3,(H,15,17)(H,18,19)/t9-,10+/m0/s1.
What are the key properties of (2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
(2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 303.15 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-acetamido-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 15168508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).