10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one

C20H16ClFN2O2 — CID 155907388

IUPAC10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one
SMILESCCN(CC)c1ccc2c(c1)oc(=O)c1cc3cc(F)c(Cl)cc3nc12
InChIInChI=1S/C20H16ClFN2O2/c1-3-24(4-2)12-5-6-13-18(9-12)26-20(25)14-7-11-8-16(22)15(21)10-17(11)23-19(13)14/h5-10H,3-4H2,1-2H3
InChIKeyCTCZAVSLFGQPHB-UHFFFAOYSA-N
MW370.81 g/mol
LogP5.13
Rot. Bonds3

About 10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one

10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one (PubChem CID 155907388) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is 10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one.

Molecular Properties

Compound Name10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one
PubChem CID155907388
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one
SMILESCCN(CC)c1ccc2c(c1)oc(=O)c1cc3cc(F)c(Cl)cc3nc12
InChIInChI=1S/C20H16ClFN2O2/c1-3-24(4-2)12-5-6-13-18(9-12)26-20(25)14-7-11-8-16(22)15(21)10-17(11)23-19(13)14/h5-10H,3-4H2,1-2H3
InChIKeyCTCZAVSLFGQPHB-UHFFFAOYSA-N
XLogP5.13
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.81
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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 10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one?
The IUPAC name of 10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one (CID 155907388) is 10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one.
What is the SMILES notation for 10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one?
The canonical SMILES for 10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one is CCN(CC)c1ccc2c(c1)oc(=O)c1cc3cc(F)c(Cl)cc3nc12.
What is the InChIKey of 10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one?
The InChIKey is CTCZAVSLFGQPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c1-3-24(4-2)12-5-6-13-18(9-12)26-20(25)14-7-11-8-16(22)15(21)10-17(11)23-19(13)14/h5-10H,3-4H2,1-2H3.
What are the key properties of 10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one?
10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one has a molecular weight of 370.81 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-3-(diethylamino)-9-fluorochromeno[4,3-b]quinolin-6-one is sourced from PubChem (CID 155907388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).