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

C20H12F3N5O — CID 118400862

IUPAC6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(C(F)(F)c2cncnc2)cc2cccnc12
InChIInChI=1S/C20H12F3N5O/c21-15-3-4-17(27-10-15)28-19(29)16-7-13(6-12-2-1-5-26-18(12)16)20(22,23)14-8-24-11-25-9-14/h1-11H,(H,27,28,29)
InChIKeySSEBXTYNQCKMOP-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.95
Rot. Bonds4

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

6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide (PubChem CID 118400862) has the molecular formula C20H12F3N5O and a molecular weight of 395.34 g/mol. Its IUPAC name is 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide
PubChem CID118400862
Molecular FormulaC20H12F3N5O
Molecular Weight395.34 g/mol
Exact Mass395.10
IUPAC Name6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(C(F)(F)c2cncnc2)cc2cccnc12
InChIInChI=1S/C20H12F3N5O/c21-15-3-4-17(27-10-15)28-19(29)16-7-13(6-12-2-1-5-26-18(12)16)20(22,23)14-8-24-11-25-9-14/h1-11H,(H,27,28,29)
InChIKeySSEBXTYNQCKMOP-UHFFFAOYSA-N
XLogP3.95
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(6-Aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo(h)(1,6)naphthyridin-2(1H)-one
CID 51358113
N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
Sgi-1027
CID 24858111
7-Amino-1-methyl-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
CID 10062694
(2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]-N-(quinolin-7-yl)prop-2-enamide
CID 11487127
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 16040281

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide?
The IUPAC name of 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide (CID 118400862) is 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide.
What is the SMILES notation for 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide?
The canonical SMILES for 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide is O=C(Nc1ccc(F)cn1)c1cc(C(F)(F)c2cncnc2)cc2cccnc12.
What is the InChIKey of 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide?
The InChIKey is SSEBXTYNQCKMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O/c21-15-3-4-17(27-10-15)28-19(29)16-7-13(6-12-2-1-5-26-18(12)16)20(22,23)14-8-24-11-25-9-14/h1-11H,(H,27,28,29).
What are the key properties of 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide?
6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro(pyrimidin-5-yl)methyl]-N-(5-fluoro-2-pyridinyl)quinoline-8-carboxamide is sourced from PubChem (CID 118400862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).