11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one

C16H7ClFNO2 — CID 14387304

IUPAC11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one
SMILESO=c1oc2ccccc2c2c(Cl)nc3cc(F)ccc3c12
InChIInChI=1S/C16H7ClFNO2/c17-15-13-10-3-1-2-4-12(10)21-16(20)14(13)9-6-5-8(18)7-11(9)19-15/h1-7H
InChIKeyHHFMUJLIHFBXPY-UHFFFAOYSA-N
MW299.69 g/mol
LogP4.29
Rot. Bonds

About 11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one

11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one (PubChem CID 14387304) has the molecular formula C16H7ClFNO2 and a molecular weight of 299.69 g/mol. Its IUPAC name is 11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one.

Molecular Properties

Compound Name11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one
PubChem CID14387304
Molecular FormulaC16H7ClFNO2
Molecular Weight299.69 g/mol
Exact Mass299.01
IUPAC Name11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one
SMILESO=c1oc2ccccc2c2c(Cl)nc3cc(F)ccc3c12
InChIInChI=1S/C16H7ClFNO2/c17-15-13-10-3-1-2-4-12(10)21-16(20)14(13)9-6-5-8(18)7-11(9)19-15/h1-7H
InChIKeyHHFMUJLIHFBXPY-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': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-2-(4-propoxyphenyl)quinoline-4-carboxylic acid
CID 1746237
2,3-Dimethylphenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate
CID 1739332
6-Fluoro-3-methyl-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 13960632
6-Fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 53357599
2-[4-(2-Ethoxyphenyl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid
CID 69568791
2-(4-Phenoxyphenyl)quinoline-4-carboxylic acid
CID 71817178
4-Chlorophenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate
CID 1734583
Phenyl 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate
CID 1739372
Phenyl acridine-9-carboxylate
CID 517916
(2-Methoxyphenyl) 2-chloroquinoline-4-carboxylate
CID 902687
Naphthalen-1-yl 2-chloroquinoline-4-carboxylate
CID 946122
4-Methylphenyl 6-methyl-2-phenylquinoline-4-carboxylate
CID 1739279

Frequently Asked Questions

What is the IUPAC name of 11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one?
The IUPAC name of 11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one (CID 14387304) is 11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one.
What is the SMILES notation for 11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one?
The canonical SMILES for 11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one is O=c1oc2ccccc2c2c(Cl)nc3cc(F)ccc3c12.
What is the InChIKey of 11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one?
The InChIKey is HHFMUJLIHFBXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClFNO2/c17-15-13-10-3-1-2-4-12(10)21-16(20)14(13)9-6-5-8(18)7-11(9)19-15/h1-7H.
What are the key properties of 11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one?
11-chloro-2-fluorochromeno[4,3-c]quinolin-5-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 11-chloro-2-fluorochromeno[4,3-c]quinolin-5-one is sourced from PubChem (CID 14387304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).