6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid

C32H36N2O10 — CID 69032197

IUPAC6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1cc2c(cc1-c1cc3c(=O)c(C(=O)O)cn([C@H](CO)C(C)C)c3cc1OC)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C
InChIInChI=1S/C32H36N2O10/c1-15(2)25(13-35)33-11-21(31(39)40)29(37)19-7-17(27(43-5)9-23(19)33)18-8-20-24(10-28(18)44-6)34(26(14-36)16(3)4)12-22(30(20)38)32(41)42/h7-12,15-16,25-26,35-36H,13-14H2,1-6H3,(H,39,40)(H,41,42)/t25-,26-/m1/s1
InChIKeyNQDIEYIXVPGFFI-CLJLJLNGSA-N
MW608.64 g/mol
LogP3.78
Rot. Bonds11

About 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid

6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 69032197) has the molecular formula C32H36N2O10 and a molecular weight of 608.64 g/mol. Its IUPAC name is 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID69032197
Molecular FormulaC32H36N2O10
Molecular Weight608.64 g/mol
Exact Mass608.24
IUPAC Name6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1cc2c(cc1-c1cc3c(=O)c(C(=O)O)cn([C@H](CO)C(C)C)c3cc1OC)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C
InChIInChI=1S/C32H36N2O10/c1-15(2)25(13-35)33-11-21(31(39)40)29(37)19-7-17(27(43-5)9-23(19)33)18-8-20-24(10-28(18)44-6)34(26(14-36)16(3)4)12-22(30(20)38)32(41)42/h7-12,15-16,25-26,35-36H,13-14H2,1-6H3,(H,39,40)(H,41,42)/t25-,26-/m1/s1
InChIKeyNQDIEYIXVPGFFI-CLJLJLNGSA-N
XLogP3.78
TPSA177.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.64
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid (CID 69032197) is 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid is COc1cc2c(cc1-c1cc3c(=O)c(C(=O)O)cn([C@H](CO)C(C)C)c3cc1OC)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C.
What is the InChIKey of 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is NQDIEYIXVPGFFI-CLJLJLNGSA-N. The full InChI is InChI=1S/C32H36N2O10/c1-15(2)25(13-35)33-11-21(31(39)40)29(37)19-7-17(27(43-5)9-23(19)33)18-8-20-24(10-28(18)44-6)34(26(14-36)16(3)4)12-22(30(20)38)32(41)42/h7-12,15-16,25-26,35-36H,13-14H2,1-6H3,(H,39,40)(H,41,42)/t25-,26-/m1/s1.
What are the key properties of 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid?
6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 608.64 g/mol, XLogP of 3.78, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 69032197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).