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

C21H21FN4O2 — CID 136549928

IUPAC8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
SMILESCc1nc2c(F)cccc2cc1C(=O)NCc1cccc(N2CCOCC2)n1
InChIInChI=1S/C21H21FN4O2/c1-14-17(12-15-4-2-6-18(22)20(15)24-14)21(27)23-13-16-5-3-7-19(25-16)26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,27)
InChIKeyXPTXVQJHWQNTIM-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.84
Rot. Bonds4

About 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide

8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide (PubChem CID 136549928) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
PubChem CID136549928
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
SMILESCc1nc2c(F)cccc2cc1C(=O)NCc1cccc(N2CCOCC2)n1
InChIInChI=1S/C21H21FN4O2/c1-14-17(12-15-4-2-6-18(22)20(15)24-14)21(27)23-13-16-5-3-7-19(25-16)26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,27)
InChIKeyXPTXVQJHWQNTIM-UHFFFAOYSA-N
XLogP2.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide (CID 136549928) is 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide is Cc1nc2c(F)cccc2cc1C(=O)NCc1cccc(N2CCOCC2)n1.
What is the InChIKey of 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide?
The InChIKey is XPTXVQJHWQNTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-17(12-15-4-2-6-18(22)20(15)24-14)21(27)23-13-16-5-3-7-19(25-16)26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,27).
What are the key properties of 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide?
8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 136549928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).