N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide

C21H16FN5O2 — CID 118400863

IUPACN-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
SMILESCOC(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1
InChIInChI=1S/C21H16FN5O2/c1-29-20(15-9-23-12-24-10-15)14-7-13-3-2-6-25-19(13)17(8-14)21(28)27-18-5-4-16(22)11-26-18/h2-12,20H,1H3,(H,26,27,28)
InChIKeyWUZGFXKMODQFLF-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.55
Rot. Bonds5

About N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide

N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide (PubChem CID 118400863) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
PubChem CID118400863
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
SMILESCOC(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1
InChIInChI=1S/C21H16FN5O2/c1-29-20(15-9-23-12-24-10-15)14-7-13-3-2-6-25-19(13)17(8-14)21(28)27-18-5-4-16(22)11-26-18/h2-12,20H,1H3,(H,26,27,28)
InChIKeyWUZGFXKMODQFLF-UHFFFAOYSA-N
XLogP3.55
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-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 N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide (CID 118400863) is N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide is COC(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide?
The InChIKey is WUZGFXKMODQFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-29-20(15-9-23-12-24-10-15)14-7-13-3-2-6-25-19(13)17(8-14)21(28)27-18-5-4-16(22)11-26-18/h2-12,20H,1H3,(H,26,27,28).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide is sourced from PubChem (CID 118400863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).