1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

C19H13ClN2O3 — CID 15944847

IUPAC1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CC(c2cc([N+](=O)[O-])ccc2Cl)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H13ClN2O3/c20-16-7-6-12(22(24)25)9-14(16)15-10-18(23)21-17-8-5-11-3-1-2-4-13(11)19(15)17/h1-9,15H,10H2,(H,21,23)
InChIKeyKIYGAJORDVLONJ-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.88
Rot. Bonds2

About 1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 15944847) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID15944847
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CC(c2cc([N+](=O)[O-])ccc2Cl)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H13ClN2O3/c20-16-7-6-12(22(24)25)9-14(16)15-10-18(23)21-17-8-5-11-3-1-2-4-13(11)19(15)17/h1-9,15H,10H2,(H,21,23)
InChIKeyKIYGAJORDVLONJ-UHFFFAOYSA-N
XLogP4.88
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 15944847) is 1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is O=C1CC(c2cc([N+](=O)[O-])ccc2Cl)c2c(ccc3ccccc23)N1.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is KIYGAJORDVLONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-16-7-6-12(22(24)25)9-14(16)15-10-18(23)21-17-8-5-11-3-1-2-4-13(11)19(15)17/h1-9,15H,10H2,(H,21,23).
What are the key properties of 1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 352.78 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 15944847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).