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

C15H12Cl2N2O4 — CID 15168512

IUPAC(2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccco1
InChIInChI=1S/C15H12Cl2N2O4/c16-7-4-8(17)13-9(5-7)18-11(15(21)22)6-10(13)19-14(20)12-2-1-3-23-12/h1-5,10-11,18H,6H2,(H,19,20)(H,21,22)/t10-,11+/m0/s1
InChIKeyDPJYWYRNTXJFCU-WDEREUQCSA-N
MW355.18 g/mol
LogP3.33
Rot. Bonds3

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

(2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 15168512) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is (2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID15168512
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name(2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccco1
InChIInChI=1S/C15H12Cl2N2O4/c16-7-4-8(17)13-9(5-7)18-11(15(21)22)6-10(13)19-14(20)12-2-1-3-23-12/h1-5,10-11,18H,6H2,(H,19,20)(H,21,22)/t10-,11+/m0/s1
InChIKeyDPJYWYRNTXJFCU-WDEREUQCSA-N
XLogP3.33
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of (2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 15168512) is (2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for (2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is O=C(N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccco1.
What is the InChIKey of (2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is DPJYWYRNTXJFCU-WDEREUQCSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c16-7-4-8(17)13-9(5-7)18-11(15(21)22)6-10(13)19-14(20)12-2-1-3-23-12/h1-5,10-11,18H,6H2,(H,19,20)(H,21,22)/t10-,11+/m0/s1.
What are the key properties of (2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
(2R,4S)-5,7-dichloro-4-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 355.18 g/mol, XLogP of 3.33, 3 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-(furan-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 15168512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).