7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one

C18H16ClNO2 — CID 169119721

IUPAC7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one
SMILESO=c1ccc2c(OCCCc3ccccc3)cc(Cl)cc2[nH]1
InChIInChI=1S/C18H16ClNO2/c19-14-11-16-15(8-9-18(21)20-16)17(12-14)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,20,21)
InChIKeyLYLKTPVDKGMOPK-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.19
Rot. Bonds5

About 7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one

7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one (PubChem CID 169119721) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one
PubChem CID169119721
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one
SMILESO=c1ccc2c(OCCCc3ccccc3)cc(Cl)cc2[nH]1
InChIInChI=1S/C18H16ClNO2/c19-14-11-16-15(8-9-18(21)20-16)17(12-14)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,20,21)
InChIKeyLYLKTPVDKGMOPK-UHFFFAOYSA-N
XLogP4.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one (CID 169119721) is 7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one is O=c1ccc2c(OCCCc3ccccc3)cc(Cl)cc2[nH]1.
What is the InChIKey of 7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one?
The InChIKey is LYLKTPVDKGMOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c19-14-11-16-15(8-9-18(21)20-16)17(12-14)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,20,21).
What are the key properties of 7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one?
7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one has a molecular weight of 313.78 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(3-phenylpropoxy)-1H-quinolin-2-one is sourced from PubChem (CID 169119721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).