3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

C21H15Cl2FN4O2 — CID 69481890

IUPAC3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESO=C(NC1=NCC2=CN(C(=O)c3c(F)cccc3Cl)CCC2=N1)c1cccc(Cl)c1
InChIInChI=1S/C21H15Cl2FN4O2/c22-14-4-1-3-12(9-14)19(29)27-21-25-10-13-11-28(8-7-17(13)26-21)20(30)18-15(23)5-2-6-16(18)24/h1-6,9,11H,7-8,10H2,(H,25,27,29)
InChIKeyUVOSOTWBWIMOEC-UHFFFAOYSA-N
MW445.28 g/mol
LogP4.10
Rot. Bonds2

About 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (PubChem CID 69481890) has the molecular formula C21H15Cl2FN4O2 and a molecular weight of 445.28 g/mol. Its IUPAC name is 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
PubChem CID69481890
Molecular FormulaC21H15Cl2FN4O2
Molecular Weight445.28 g/mol
Exact Mass444.06
IUPAC Name3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESO=C(NC1=NCC2=CN(C(=O)c3c(F)cccc3Cl)CCC2=N1)c1cccc(Cl)c1
InChIInChI=1S/C21H15Cl2FN4O2/c22-14-4-1-3-12(9-14)19(29)27-21-25-10-13-11-28(8-7-17(13)26-21)20(30)18-15(23)5-2-6-16(18)24/h1-6,9,11H,7-8,10H2,(H,25,27,29)
InChIKeyUVOSOTWBWIMOEC-UHFFFAOYSA-N
XLogP4.10
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide with MolForge

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Related Compounds

US10189819, Example 108
CID 138403918
2-chloro-N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-6-fluorobenzamide
CID 16835745
2-chloro-N-{7-chloro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-6-fluorobenzamide
CID 18566140
7-(2-chlorobenzoyl)-2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112247
6-(3-Chlorobenzoyl)-2-[(3-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136231311
2-chloro-6-fluoro-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 22579996
2-Chloro-N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}-6-fluorobenzamide
CID 22580018
2-chloro-N-{2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-6-fluorobenzamide
CID 22580019
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)propyl]-2-chloro-4-fluorobenzamide
CID 11283540
N-[1-(3-chlorobenzoyl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide
CID 58138302
4-[(2-chlorobenzoyl)amino]-N-ethyl-5-fluoro-2-oxopyrimidine-1-carboxamide
CID 58138346
4-[(2-chlorobenzoyl)amino]-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide
CID 58138355

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (CID 69481890) is 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is O=C(NC1=NCC2=CN(C(=O)c3c(F)cccc3Cl)CCC2=N1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The InChIKey is UVOSOTWBWIMOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN4O2/c22-14-4-1-3-12(9-14)19(29)27-21-25-10-13-11-28(8-7-17(13)26-21)20(30)18-15(23)5-2-6-16(18)24/h1-6,9,11H,7-8,10H2,(H,25,27,29).
What are the key properties of 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide has a molecular weight of 445.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(2-chloro-6-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 69481890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).