N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide

C23H20FN5O — CID 46994161

IUPACN-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(-c2cnc(C)nc2)nc2cc(F)ccc12
InChIInChI=1S/C23H20FN5O/c1-3-29(14-16-6-8-25-9-7-16)23(30)20-11-21(17-12-26-15(2)27-13-17)28-22-10-18(24)4-5-19(20)22/h4-13H,3,14H2,1-2H3
InChIKeyCFUQCFUZPITRQS-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.20
Rot. Bonds5

About N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide

N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (PubChem CID 46994161) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
PubChem CID46994161
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(-c2cnc(C)nc2)nc2cc(F)ccc12
InChIInChI=1S/C23H20FN5O/c1-3-29(14-16-6-8-25-9-7-16)23(30)20-11-21(17-12-26-15(2)27-13-17)28-22-10-18(24)4-5-19(20)22/h4-13H,3,14H2,1-2H3
InChIKeyCFUQCFUZPITRQS-UHFFFAOYSA-N
XLogP4.20
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
Jnk-IN-8
CID 57340686
Sgi-1027
CID 24858111
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
Aminoquinazoline amide, 35
CID 25138148
4-Azanyl-6-[[(1~{s})-1-(6-Fluoranyl-3-Phenyl-4-Piperazin-1-Ylcarbonyl-Quinolin-2-Yl)ethyl]amino]pyrimidine-5-Carbonitrile
CID 49872646
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 24812719
VX-984
CID 72188357
4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(3-(trifluoro methyl) phenyl) benzamide (A2)
CID 11316850
4-Methyl-n-phenyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)benzamide
CID 11617856
N-(2-Methoxyethyl)-4-[(6-Pyridin-4-Ylquinazolin-2-Yl)amino]benzamide
CID 24891645

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (CID 46994161) is N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is CCN(Cc1ccncc1)C(=O)c1cc(-c2cnc(C)nc2)nc2cc(F)ccc12.
What is the InChIKey of N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The InChIKey is CFUQCFUZPITRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-3-29(14-16-6-8-25-9-7-16)23(30)20-11-21(17-12-26-15(2)27-13-17)28-22-10-18(24)4-5-19(20)22/h4-13H,3,14H2,1-2H3.
What are the key properties of N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 46994161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).