N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C16H18FN3O2 — CID 72839739

IUPACN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2cc(F)cc3c2NC(=O)CC3)CC1
InChIInChI=1S/C16H18FN3O2/c1-10-4-6-20(7-5-10)16(22)18-13-9-12(17)8-11-2-3-14(21)19-15(11)13/h4,8-9H,2-3,5-7H2,1H3,(H,18,22)(H,19,21)
InChIKeyBEROIFJOOHHHGZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.89
Rot. Bonds1

About N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 72839739) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID72839739
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2cc(F)cc3c2NC(=O)CC3)CC1
InChIInChI=1S/C16H18FN3O2/c1-10-4-6-20(7-5-10)16(22)18-13-9-12(17)8-11-2-3-14(21)19-15(11)13/h4,8-9H,2-3,5-7H2,1H3,(H,18,22)(H,19,21)
InChIKeyBEROIFJOOHHHGZ-UHFFFAOYSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 72839739) is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)Nc2cc(F)cc3c2NC(=O)CC3)CC1.
What is the InChIKey of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is BEROIFJOOHHHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-4-6-20(7-5-10)16(22)18-13-9-12(17)8-11-2-3-14(21)19-15(11)13/h4,8-9H,2-3,5-7H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 72839739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).