9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid

C19H17N3O7 — CID 146412310

IUPAC9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n1c3cc(OCCO)c(OCCO)cc3nc21
InChIInChI=1S/C19H17N3O7/c23-3-5-28-15-8-13-14(9-16(15)29-6-4-24)22-17(20-13)11-2-1-10(18(25)26)7-12(11)21-19(22)27/h1-2,7-9,23-24H,3-6H2,(H,21,27)(H,25,26)
InChIKeyWRJBAJIZVARYDT-UHFFFAOYSA-N
MW399.36 g/mol
LogP0.77
Rot. Bonds7

About 9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid

9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid (PubChem CID 146412310) has the molecular formula C19H17N3O7 and a molecular weight of 399.36 g/mol. Its IUPAC name is 9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid.

Molecular Properties

Compound Name9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid
PubChem CID146412310
Molecular FormulaC19H17N3O7
Molecular Weight399.36 g/mol
Exact Mass399.11
IUPAC Name9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n1c3cc(OCCO)c(OCCO)cc3nc21
InChIInChI=1S/C19H17N3O7/c23-3-5-28-15-8-13-14(9-16(15)29-6-4-24)22-17(20-13)11-2-1-10(18(25)26)7-12(11)21-19(22)27/h1-2,7-9,23-24H,3-6H2,(H,21,27)(H,25,26)
InChIKeyWRJBAJIZVARYDT-UHFFFAOYSA-N
XLogP0.77
TPSA146.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid?
The IUPAC name of 9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid (CID 146412310) is 9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid.
What is the SMILES notation for 9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid?
The canonical SMILES for 9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid is O=C(O)c1ccc2c(c1)[nH]c(=O)n1c3cc(OCCO)c(OCCO)cc3nc21.
What is the InChIKey of 9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid?
The InChIKey is WRJBAJIZVARYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O7/c23-3-5-28-15-8-13-14(9-16(15)29-6-4-24)22-17(20-13)11-2-1-10(18(25)26)7-12(11)21-19(22)27/h1-2,7-9,23-24H,3-6H2,(H,21,27)(H,25,26).
What are the key properties of 9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid?
9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid has a molecular weight of 399.36 g/mol, XLogP of 0.77, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2-hydroxyethoxy)-6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid is sourced from PubChem (CID 146412310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).