6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one

C16H7ClFNO2 — CID 139572456

IUPAC6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cc(F)ccc2oc2c(Cl)nc3ccccc3c12
InChIInChI=1S/C16H7ClFNO2/c17-16-15-13(9-3-1-2-4-11(9)19-16)14(20)10-7-8(18)5-6-12(10)21-15/h1-7H
InChIKeyOHCWNLJCQFRYOB-UHFFFAOYSA-N
MW299.69 g/mol
LogP4.29
Rot. Bonds

About 6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one

6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one (PubChem CID 139572456) has the molecular formula C16H7ClFNO2 and a molecular weight of 299.69 g/mol. Its IUPAC name is 6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one
PubChem CID139572456
Molecular FormulaC16H7ClFNO2
Molecular Weight299.69 g/mol
Exact Mass299.01
IUPAC Name6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cc(F)ccc2oc2c(Cl)nc3ccccc3c12
InChIInChI=1S/C16H7ClFNO2/c17-16-15-13(9-3-1-2-4-11(9)19-16)14(20)10-7-8(18)5-6-12(10)21-15/h1-7H
InChIKeyOHCWNLJCQFRYOB-UHFFFAOYSA-N
XLogP4.29
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one (CID 139572456) is 6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one is O=c1c2cc(F)ccc2oc2c(Cl)nc3ccccc3c12.
What is the InChIKey of 6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one?
The InChIKey is OHCWNLJCQFRYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClFNO2/c17-16-15-13(9-3-1-2-4-11(9)19-16)14(20)10-7-8(18)5-6-12(10)21-15/h1-7H.
What are the key properties of 6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one?
6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one has a molecular weight of 299.69 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 139572456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).