(2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C15H18Cl2N2O4 — CID 15168502

IUPAC(2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C15H18Cl2N2O4/c1-15(2,3)23-14(22)19-10-6-11(13(20)21)18-9-5-7(16)4-8(17)12(9)10/h4-5,10-11,18H,6H2,1-3H3,(H,19,22)(H,20,21)/t10-,11+/m0/s1
InChIKeyQSPHJSYDRTUERE-WDEREUQCSA-N
MW361.23 g/mol
LogP3.83
Rot. Bonds2

About (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

(2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 15168502) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID15168502
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name(2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C15H18Cl2N2O4/c1-15(2,3)23-14(22)19-10-6-11(13(20)21)18-9-5-7(16)4-8(17)12(9)10/h4-5,10-11,18H,6H2,1-3H3,(H,19,22)(H,20,21)/t10-,11+/m0/s1
InChIKeyQSPHJSYDRTUERE-WDEREUQCSA-N
XLogP3.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

L-689,560
CID 121918
(2R,4S)-4-[[anilino(oxo)methyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 6604749
(2R,4S)-4-[[2-[4-(2-amino-2-carboxyethyl)phenyl]acetyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 44353287
Cgp 61594
CID 10025114
4-[[Anilino(oxo)methyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 4267713
(4E)-4-[2-(4-acetamidoanilino)-2-oxoethylidene]-5,7-dichloro-2,3-dihydro-1H-quinoline-2-carboxylic acid
CID 9845769
(4E)-5,7-dichloro-4-[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethylidene]-2,3-dihydro-1H-quinoline-2-carboxylic acid
CID 9912264
5,7-Dichloro-4-(3-p-tolyl-ureido)-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
CID 10000692
(2R,4S)-4-carbamoyl-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 15168486
Trans-2-carboxy-4-methoxycarbonylmethyl-5,7-dichloro-1,2,3,4-tetrahydroquinoline
CID 15168488
Trans-2-carboxy-4-carboxymethyl-5,7-dichloro-1,2,3,4-tetrahydroquinoline
CID 15168492
4-Benzoylamino-5,7-dichloro-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
CID 15168506

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 15168502) is (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21.
What is the InChIKey of (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is QSPHJSYDRTUERE-WDEREUQCSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-15(2,3)23-14(22)19-10-6-11(13(20)21)18-9-5-7(16)4-8(17)12(9)10/h4-5,10-11,18H,6H2,1-3H3,(H,19,22)(H,20,21)/t10-,11+/m0/s1.
What are the key properties of (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
(2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 361.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-5,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 15168502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).