8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide

C24H21FN6O3 — CID 134289254

IUPAC8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4cnc5c(c4)OCCO5)ncn3)ccc(F)c12
InChIInChI=1S/C24H21FN6O3/c1-26-23(32)16-5-7-28-22-14(2-3-17(25)21(16)22)4-6-27-20-11-18(30-13-31-20)15-10-19-24(29-12-15)34-9-8-33-19/h2-3,5,7,10-13H,4,6,8-9H2,1H3,(H,26,32)(H,27,30,31)
InChIKeyIJRNDGBEWULELI-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.01
Rot. Bonds6

About 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide

8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide (PubChem CID 134289254) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide
PubChem CID134289254
Molecular FormulaC24H21FN6O3
Molecular Weight460.47 g/mol
Exact Mass460.17
IUPAC Name8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4cnc5c(c4)OCCO5)ncn3)ccc(F)c12
InChIInChI=1S/C24H21FN6O3/c1-26-23(32)16-5-7-28-22-14(2-3-17(25)21(16)22)4-6-27-20-11-18(30-13-31-20)15-10-19-24(29-12-15)34-9-8-33-19/h2-3,5,7,10-13H,4,6,8-9H2,1H3,(H,26,32)(H,27,30,31)
InChIKeyIJRNDGBEWULELI-UHFFFAOYSA-N
XLogP3.01
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-N-methyl-8-[4-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]butan-2-yl]quinoline-4-carboxamide
CID 123373034
8-[(2S)-1-[[6-(2-cyclobutylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;sulfane
CID 158905285
8-[4-[[6-(2-ethylpyrimidin-5-yl)pyrimidin-4-yl]amino]butan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide
CID 123896475
5-fluoro-8-[(2S)-1-[[6-(5-fluoro-6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982921
5-fluoro-N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 157486204
N-methyl-8-[2-[[6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
CID 134289217
8-[(2S)-1-[[6-(5,6-dimethoxy-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide
CID 118982861
5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 161283519
5-fluoro-8-[(2S)-1-[[6-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;sulfane
CID 160900426
5-fluoro-N-methyl-8-[(2S)-1-[[6-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 158832557
5-fluoro-N-methyl-8-[2-methyl-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 162569489
8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134288939

Frequently Asked Questions

What is the IUPAC name of 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide?
The IUPAC name of 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide (CID 134289254) is 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide?
The canonical SMILES for 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide is CNC(=O)c1ccnc2c(CCNc3cc(-c4cnc5c(c4)OCCO5)ncn3)ccc(F)c12.
What is the InChIKey of 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide?
The InChIKey is IJRNDGBEWULELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c1-26-23(32)16-5-7-28-22-14(2-3-17(25)21(16)22)4-6-27-20-11-18(30-13-31-20)15-10-19-24(29-12-15)34-9-8-33-19/h2-3,5,7,10-13H,4,6,8-9H2,1H3,(H,26,32)(H,27,30,31).
What are the key properties of 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide?
8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide has a molecular weight of 460.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 134289254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).