5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide

C16H19FN4O — CID 75424867

IUPAC5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCCc3c(F)cccc32)cn1
InChIInChI=1S/C16H19FN4O/c1-20-11-12(10-19-20)7-8-18-16(22)21-9-3-4-13-14(17)5-2-6-15(13)21/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,18,22)
InChIKeyAJZHEAWZYSCODH-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.26
Rot. Bonds3

About 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide

5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 75424867) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID75424867
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCCc3c(F)cccc32)cn1
InChIInChI=1S/C16H19FN4O/c1-20-11-12(10-19-20)7-8-18-16(22)21-9-3-4-13-14(17)5-2-6-15(13)21/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,18,22)
InChIKeyAJZHEAWZYSCODH-UHFFFAOYSA-N
XLogP2.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 75424867) is 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide is Cn1cc(CCNC(=O)N2CCCc3c(F)cccc32)cn1.
What is the InChIKey of 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is AJZHEAWZYSCODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-20-11-12(10-19-20)7-8-18-16(22)21-9-3-4-13-14(17)5-2-6-15(13)21/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,18,22).
What are the key properties of 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 75424867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).