imidazo[5,1-b]quinazoline-3-carboxylic acid

C11H7N3O2 — CID 83886001

IUPACimidazo[5,1-b]quinazoline-3-carboxylic acid
SMILESO=C(O)c1ncn2cc3ccccc3nc12
InChIInChI=1S/C11H7N3O2/c15-11(16)9-10-13-8-4-2-1-3-7(8)5-14(10)6-12-9/h1-6H,(H,15,16)
InChIKeyJSMYGAGNIJQAOE-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.58
Rot. Bonds1

About imidazo[5,1-b]quinazoline-3-carboxylic acid

imidazo[5,1-b]quinazoline-3-carboxylic acid (PubChem CID 83886001) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is imidazo[5,1-b]quinazoline-3-carboxylic acid.

Molecular Properties

Compound Nameimidazo[5,1-b]quinazoline-3-carboxylic acid
PubChem CID83886001
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Nameimidazo[5,1-b]quinazoline-3-carboxylic acid
SMILESO=C(O)c1ncn2cc3ccccc3nc12
InChIInChI=1S/C11H7N3O2/c15-11(16)9-10-13-8-4-2-1-3-7(8)5-14(10)6-12-9/h1-6H,(H,15,16)
InChIKeyJSMYGAGNIJQAOE-UHFFFAOYSA-N
XLogP1.58
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(triazol-2-yl)quinoline-2-carboxylic acid
CID 90411394
formic acid;quinoline-2,3-dicarboxylic acid
CID 174725095
ethane;indazole-2-carboxylic acid
CID 91117205
5-phenyl-1-sulfanylimidazole-4-carboxylic acid
CID 150605008
6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 162363991
6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83843239
imidazo[5,1-b]quinazoline
CID 91528922
pyridine-2,3-dicarboxylic acid;quinoline
CID 158705620
8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83869330
imidazo[5,1-b][1,3]thiazole-7-carboxylic acid
CID 23449010
iridium;phenanthridine-6-carboxylic acid
CID 59015465
copper;quinoline-2-carboxylic acid
CID 68537473

Frequently Asked Questions

What is the IUPAC name of imidazo[5,1-b]quinazoline-3-carboxylic acid?
The IUPAC name of imidazo[5,1-b]quinazoline-3-carboxylic acid (CID 83886001) is imidazo[5,1-b]quinazoline-3-carboxylic acid.
What is the SMILES notation for imidazo[5,1-b]quinazoline-3-carboxylic acid?
The canonical SMILES for imidazo[5,1-b]quinazoline-3-carboxylic acid is O=C(O)c1ncn2cc3ccccc3nc12.
What is the InChIKey of imidazo[5,1-b]quinazoline-3-carboxylic acid?
The InChIKey is JSMYGAGNIJQAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-11(16)9-10-13-8-4-2-1-3-7(8)5-14(10)6-12-9/h1-6H,(H,15,16).
What are the key properties of imidazo[5,1-b]quinazoline-3-carboxylic acid?
imidazo[5,1-b]quinazoline-3-carboxylic acid has a molecular weight of 213.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[5,1-b]quinazoline-3-carboxylic acid is sourced from PubChem (CID 83886001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).