5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid

C20H10ClNO4 — CID 66607536

IUPAC5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2c3n(c4ccccc24)-c2cc(Cl)ccc2C3=O)o1
InChIInChI=1S/C20H10ClNO4/c21-10-5-6-12-14(9-10)22-13-4-2-1-3-11(13)17(18(22)19(12)23)15-7-8-16(26-15)20(24)25/h1-9H,(H,24,25)
InChIKeyWSPPAXPRTYEOKE-UHFFFAOYSA-N
MW363.76 g/mol
LogP4.79
Rot. Bonds2

About 5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid

5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid (PubChem CID 66607536) has the molecular formula C20H10ClNO4 and a molecular weight of 363.76 g/mol. Its IUPAC name is 5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid
PubChem CID66607536
Molecular FormulaC20H10ClNO4
Molecular Weight363.76 g/mol
Exact Mass363.03
IUPAC Name5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2c3n(c4ccccc24)-c2cc(Cl)ccc2C3=O)o1
InChIInChI=1S/C20H10ClNO4/c21-10-5-6-12-14(9-10)22-13-4-2-1-3-11(13)17(18(22)19(12)23)15-7-8-16(26-15)20(24)25/h1-9H,(H,24,25)
InChIKeyWSPPAXPRTYEOKE-UHFFFAOYSA-N
XLogP4.79
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid (CID 66607536) is 5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2c3n(c4ccccc24)-c2cc(Cl)ccc2C3=O)o1.
What is the InChIKey of 5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid?
The InChIKey is WSPPAXPRTYEOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClNO4/c21-10-5-6-12-14(9-10)22-13-4-2-1-3-11(13)17(18(22)19(12)23)15-7-8-16(26-15)20(24)25/h1-9H,(H,24,25).
What are the key properties of 5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid?
5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid has a molecular weight of 363.76 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-11-oxoindolo[1,2-a]indol-10-yl)furan-2-carboxylic acid is sourced from PubChem (CID 66607536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).