7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide

C22H23FN4O2 — CID 55714126

IUPAC7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)c2ccc(F)cc2n1
InChIInChI=1S/C22H23FN4O2/c1-14-9-19(18-5-4-17(23)10-20(18)26-14)22(28)25-12-16-3-6-21(24-11-16)27-7-8-29-15(2)13-27/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H,25,28)
InChIKeyCFWFGHYDALQHKW-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.23
Rot. Bonds4

About 7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide

7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide (PubChem CID 55714126) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
PubChem CID55714126
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)c2ccc(F)cc2n1
InChIInChI=1S/C22H23FN4O2/c1-14-9-19(18-5-4-17(23)10-20(18)26-14)22(28)25-12-16-3-6-21(24-11-16)27-7-8-29-15(2)13-27/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H,25,28)
InChIKeyCFWFGHYDALQHKW-UHFFFAOYSA-N
XLogP3.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide (CID 55714126) is 7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide?
The InChIKey is CFWFGHYDALQHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-9-19(18-5-4-17(23)10-20(18)26-14)22(28)25-12-16-3-6-21(24-11-16)27-7-8-29-15(2)13-27/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H,25,28).
What are the key properties of 7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide?
7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 55714126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).