6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H15F3N4 — CID 24909603

IUPAC6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1ccc3ccccc3n1)C2
InChIInChI=1S/C18H15F3N4/c19-18(20,21)17-22-9-13-10-25(8-7-16(13)24-17)11-14-6-5-12-3-1-2-4-15(12)23-14/h1-6,9H,7-8,10-11H2
InChIKeyAUUVXHQPCWJXPC-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.60
Rot. Bonds2

About 6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909603) has the molecular formula C18H15F3N4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909603
Molecular FormulaC18H15F3N4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1ccc3ccccc3n1)C2
InChIInChI=1S/C18H15F3N4/c19-18(20,21)17-22-9-13-10-25(8-7-16(13)24-17)11-14-6-5-12-3-1-2-4-15(12)23-14/h1-6,9H,7-8,10-11H2
InChIKeyAUUVXHQPCWJXPC-UHFFFAOYSA-N
XLogP3.60
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909708
6-[(2-fluoro-3-pyridinyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913089
6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909666
6-[(5-ethylthiophen-2-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910044
6-[(3-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908745
4-chloro-3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-2-one
CID 24910359
6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912291
6-[[6-(2-bromophenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914244
1-[5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone
CID 24910968
1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909267
6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916344
6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914433

Frequently Asked Questions

What is the IUPAC name of 6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909603) is 6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1ncc2c(n1)CCN(Cc1ccc3ccccc3n1)C2.
What is the InChIKey of 6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is AUUVXHQPCWJXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4/c19-18(20,21)17-22-9-13-10-25(8-7-16(13)24-17)11-14-6-5-12-3-1-2-4-15(12)23-14/h1-6,9H,7-8,10-11H2.
What are the key properties of 6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 344.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).