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

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Related Compounds

Ethyl 4-((2-(pyridin-3-yl)quinazolin-4-yl)amino)benzoate
CID 1186128
ethyl 4-(3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxopyridin-1(2H)-yl)benzoate
CID 24879244
N-(5-fluoropyridin-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
CID 118378691
N-(5-fluoro-2-pyridinyl)-6-[fluoro(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
CID 118400860
6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoropyridin-2-yl)quinoline-8-carboxamide
CID 118400862
N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
CID 118400864
4-[1-[3-[(6-Methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide
CID 46868887
4-[[(1R)-1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869845
4-[1-[3-[(6-Methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66763098
4-{3-[(6-Methoxy-pyridine-3-carbonyl)-amino]-benzylamino}-quinazoline-8-carboxylic acid amide
CID 66763406
Ethyl 4-[[2-(4-pyridyl)quinazolin-4-yl]amino]benzoate
CID 127027208
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-8-fluoroquinoline-3-carboxylate
CID 134146336

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).