4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid

C17H10N2O5 — CID 505809

IUPAC4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid
SMILESCOc1cccc2c(=O)n3c(nc12)C(=O)c1cc(C(=O)O)ccc1-3
InChIInChI=1S/C17H10N2O5/c1-24-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17(22)23)5-6-11(10)19(15)16(9)21/h2-7H,1H3,(H,22,23)
InChIKeySEKOWWYZUHAEFN-UHFFFAOYSA-N
MW322.28 g/mol
LogP1.64
Rot. Bonds2

About 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid

4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid (PubChem CID 505809) has the molecular formula C17H10N2O5 and a molecular weight of 322.28 g/mol. Its IUPAC name is 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid
PubChem CID505809
Molecular FormulaC17H10N2O5
Molecular Weight322.28 g/mol
Exact Mass322.06
IUPAC Name4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid
SMILESCOc1cccc2c(=O)n3c(nc12)C(=O)c1cc(C(=O)O)ccc1-3
InChIInChI=1S/C17H10N2O5/c1-24-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17(22)23)5-6-11(10)19(15)16(9)21/h2-7H,1H3,(H,22,23)
InChIKeySEKOWWYZUHAEFN-UHFFFAOYSA-N
XLogP1.64
TPSA98.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid?
The IUPAC name of 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid (CID 505809) is 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid.
What is the SMILES notation for 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid?
The canonical SMILES for 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid is COc1cccc2c(=O)n3c(nc12)C(=O)c1cc(C(=O)O)ccc1-3.
What is the InChIKey of 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid?
The InChIKey is SEKOWWYZUHAEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O5/c1-24-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17(22)23)5-6-11(10)19(15)16(9)21/h2-7H,1H3,(H,22,23).
What are the key properties of 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid?
4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid has a molecular weight of 322.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid is sourced from PubChem (CID 505809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).