8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile

C11H4ClN3O — CID 54211688

IUPAC8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile
SMILESN#Cc1nc2ccc3ccc(Cl)nc3c2o1
InChIInChI=1S/C11H4ClN3O/c12-8-4-2-6-1-3-7-11(10(6)15-8)16-9(5-13)14-7/h1-4H
InChIKeyPWJOFECVSYJRPT-UHFFFAOYSA-N
MW229.63 g/mol
LogP2.90
Rot. Bonds

About 8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile

8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile (PubChem CID 54211688) has the molecular formula C11H4ClN3O and a molecular weight of 229.63 g/mol. Its IUPAC name is 8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile.

Molecular Properties

Compound Name8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile
PubChem CID54211688
Molecular FormulaC11H4ClN3O
Molecular Weight229.63 g/mol
Exact Mass229.00
IUPAC Name8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile
SMILESN#Cc1nc2ccc3ccc(Cl)nc3c2o1
InChIInChI=1S/C11H4ClN3O/c12-8-4-2-6-1-3-7-11(10(6)15-8)16-9(5-13)14-7/h1-4H
InChIKeyPWJOFECVSYJRPT-UHFFFAOYSA-N
XLogP2.90
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-iodo-1,3-benzoxazole-2-carbonitrile
CID 130938767
2-cyano-1,3-benzoxazole-7-carboxylic acid
CID 131011125
6-fluoro-1,3-benzoxazole-2-carbonitrile
CID 119083065
2-chloro-6-fluoroquinoline-8-carbonitrile
CID 154728078
6-chloropyrido[3,2-c]pyridazine-3-carbonitrile
CID 156819274
5-(chloromethyl)-1,3-benzoxazole-2-carbonitrile
CID 131057727
6-(methylamino)-1,3-benzoxazole-2-carbonitrile
CID 46908315
2,7-dichloro-8-methylquinoline
CID 53217380
6-bromo-4-chloro-1,3-benzoxazole-2-carbonitrile
CID 165455606
3-(2-chloroquinolin-6-yl)prop-2-enenitrile
CID 169484090
2-chloro-9-(difluoromethyl)-1,10-phenanthroline
CID 146169798
2-chloro-9-pyridin-2-yl-1,10-phenanthroline
CID 170902643

Frequently Asked Questions

What is the IUPAC name of 8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile?
The IUPAC name of 8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile (CID 54211688) is 8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile.
What is the SMILES notation for 8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile?
The canonical SMILES for 8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile is N#Cc1nc2ccc3ccc(Cl)nc3c2o1.
What is the InChIKey of 8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile?
The InChIKey is PWJOFECVSYJRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClN3O/c12-8-4-2-6-1-3-7-11(10(6)15-8)16-9(5-13)14-7/h1-4H.
What are the key properties of 8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile?
8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile has a molecular weight of 229.63 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carbonitrile is sourced from PubChem (CID 54211688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).