4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C19H13ClFNO — CID 59140319

IUPAC4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2cccc(Cl)c2F)c2ccc3ccccc3c2N1
InChIInChI=1S/C19H13ClFNO/c20-16-7-3-6-13(18(16)21)15-10-17(23)22-19-12-5-2-1-4-11(12)8-9-14(15)19/h1-9,15H,10H2,(H,22,23)
InChIKeyBHPNQFNDNIOTQH-UHFFFAOYSA-N
MW325.77 g/mol
LogP5.11
Rot. Bonds1

About 4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 59140319) has the molecular formula C19H13ClFNO and a molecular weight of 325.77 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID59140319
Molecular FormulaC19H13ClFNO
Molecular Weight325.77 g/mol
Exact Mass325.07
IUPAC Name4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2cccc(Cl)c2F)c2ccc3ccccc3c2N1
InChIInChI=1S/C19H13ClFNO/c20-16-7-3-6-13(18(16)21)15-10-17(23)22-19-12-5-2-1-4-11(12)8-9-14(15)19/h1-9,15H,10H2,(H,22,23)
InChIKeyBHPNQFNDNIOTQH-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.77
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 59140319) is 4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1CC(c2cccc(Cl)c2F)c2ccc3ccccc3c2N1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is BHPNQFNDNIOTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO/c20-16-7-3-6-13(18(16)21)15-10-17(23)22-19-12-5-2-1-4-11(12)8-9-14(15)19/h1-9,15H,10H2,(H,22,23).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 325.77 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 59140319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).