4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C20H24FN5O2 — CID 154796681

IUPAC4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2c1CCCC2)N1CCCC(CNc2cnc(F)cn2)C1
InChIInChI=1S/C20H24FN5O2/c21-17-10-24-18(11-22-17)23-9-13-4-3-7-26(12-13)20(28)15-8-19(27)25-16-6-2-1-5-14(15)16/h8,10-11,13H,1-7,9,12H2,(H,23,24)(H,25,27)
InChIKeyYOZRKJCVXWPGBE-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.15
Rot. Bonds4

About 4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 154796681) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID154796681
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2c1CCCC2)N1CCCC(CNc2cnc(F)cn2)C1
InChIInChI=1S/C20H24FN5O2/c21-17-10-24-18(11-22-17)23-9-13-4-3-7-26(12-13)20(28)15-8-19(27)25-16-6-2-1-5-14(15)16/h8,10-11,13H,1-7,9,12H2,(H,23,24)(H,25,27)
InChIKeyYOZRKJCVXWPGBE-UHFFFAOYSA-N
XLogP2.15
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 154796681) is 4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2c1CCCC2)N1CCCC(CNc2cnc(F)cn2)C1.
What is the InChIKey of 4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is YOZRKJCVXWPGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-17-10-24-18(11-22-17)23-9-13-4-3-7-26(12-13)20(28)15-8-19(27)25-16-6-2-1-5-14(15)16/h8,10-11,13H,1-7,9,12H2,(H,23,24)(H,25,27).
What are the key properties of 4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 385.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(5-fluoropyrazin-2-yl)amino]methyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 154796681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).