6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid

C11H7ClN2O3 — CID 84634015

IUPAC6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
SMILESO=C(O)c1ncn2c1COc1c(Cl)cccc1-2
InChIInChI=1S/C11H7ClN2O3/c12-6-2-1-3-7-10(6)17-4-8-9(11(15)16)13-5-14(7)8/h1-3,5H,4H2,(H,15,16)
InChIKeyOKRRYMZJMUBQFO-UHFFFAOYSA-N
MW250.64 g/mol
LogP2.12
Rot. Bonds1

About 6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid

6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid (PubChem CID 84634015) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
PubChem CID84634015
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
SMILESO=C(O)c1ncn2c1COc1c(Cl)cccc1-2
InChIInChI=1S/C11H7ClN2O3/c12-6-2-1-3-7-10(6)17-4-8-9(11(15)16)13-5-14(7)8/h1-3,5H,4H2,(H,15,16)
InChIKeyOKRRYMZJMUBQFO-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
CID 12909275
4H-benzo[b]imidazo[1,2-d][1,4]oxazine-2-carboxylic acid
CID 12909281
8-chloro-4H-imidazo-[2,1-c][1,4]-benzoxazine-2-carboxylic acid
CID 14067394
methyl 8-chloro-4H-imidazo-[2,1-c][1,4]-benzoxazine-2-carboxylate
CID 14067395
8-Oxa-2,4-diazatricyclo(7.4.0.0,2,6)trideca-1(13),3,5,9,11-pentaene-5-carboxylic acid
CID 71695404
4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid
CID 12909282
4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
CID 12909287
methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
CID 14067392
1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
CID 14067393
4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
CID 14067398
4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
CID 14067399
1-tert-butyl-7-fluoro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
CID 17875392

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
The IUPAC name of 6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid (CID 84634015) is 6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid is O=C(O)c1ncn2c1COc1c(Cl)cccc1-2.
What is the InChIKey of 6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
The InChIKey is OKRRYMZJMUBQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-6-2-1-3-7-10(6)17-4-8-9(11(15)16)13-5-14(7)8/h1-3,5H,4H2,(H,15,16).
What are the key properties of 6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid has a molecular weight of 250.64 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid is sourced from PubChem (CID 84634015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).