N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide

C20H21FN2O2 — CID 53135745

IUPACN-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide
SMILESCCCN1C(=O)CCc2cc(C(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C20H21FN2O2/c1-2-11-23-18-9-5-16(12-15(18)6-10-19(23)24)20(25)22-13-14-3-7-17(21)8-4-14/h3-5,7-9,12H,2,6,10-11,13H2,1H3,(H,22,25)
InChIKeyKAEBHICIIBXEEM-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide

N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide (PubChem CID 53135745) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide
PubChem CID53135745
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide
SMILESCCCN1C(=O)CCc2cc(C(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C20H21FN2O2/c1-2-11-23-18-9-5-16(12-15(18)6-10-19(23)24)20(25)22-13-14-3-7-17(21)8-4-14/h3-5,7-9,12H,2,6,10-11,13H2,1H3,(H,22,25)
InChIKeyKAEBHICIIBXEEM-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide (CID 53135745) is N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide is CCCN1C(=O)CCc2cc(C(=O)NCc3ccc(F)cc3)ccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide?
The InChIKey is KAEBHICIIBXEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-2-11-23-18-9-5-16(12-15(18)6-10-19(23)24)20(25)22-13-14-3-7-17(21)8-4-14/h3-5,7-9,12H,2,6,10-11,13H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide?
N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-oxo-1-propyl-3,4-dihydroquinoline-6-carboxamide is sourced from PubChem (CID 53135745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).