4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol

C20H13F3N2O — CID 175816309

IUPAC4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol
SMILES[2H]c1ncc2cc(F)c(-c3cc(O)cc4ccc(F)c(CC)c34)c(F)c2n1
InChIInChI=1S/C20H13F3N2O/c1-2-13-15(21)4-3-10-5-12(26)7-14(17(10)13)18-16(22)6-11-8-24-9-25-20(11)19(18)23/h3-9,26H,2H2,1H3/i9D
InChIKeyBHMKXEUQJINLPU-QOWOAITPSA-N
MW355.34 g/mol
LogP5.14
Rot. Bonds2

About 4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol

4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol (PubChem CID 175816309) has the molecular formula C20H13F3N2O and a molecular weight of 355.34 g/mol. Its IUPAC name is 4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol.

Molecular Properties

Compound Name4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol
PubChem CID175816309
Molecular FormulaC20H13F3N2O
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Name4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol
SMILES[2H]c1ncc2cc(F)c(-c3cc(O)cc4ccc(F)c(CC)c34)c(F)c2n1
InChIInChI=1S/C20H13F3N2O/c1-2-13-15(21)4-3-10-5-12(26)7-14(17(10)13)18-16(22)6-11-8-24-9-25-20(11)19(18)23/h3-9,26H,2H2,1H3/i9D
InChIKeyBHMKXEUQJINLPU-QOWOAITPSA-N
XLogP5.14
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.34
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-6-fluoro-4-(8-fluoro-2-methyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
CID 171786241
4-[4-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-difluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 166102758
4-tert-butyl-5-ethyl-6-fluoronaphthalen-2-ol
CID 169009475
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 167120127
4-[6,8-difluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(3-pyridin-4-ylazetidin-1-yl)quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 174184196
5-ethyl-6-fluoro-4-[8-fluoro-2-methyl-4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 171786603
4-[4-[(1-amino-3-pyridin-4-yliminoprop-1-en-2-yl)amino]-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 174013598
(3S)-1-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl]piperidin-3-ol;propane
CID 171786062
4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide
CID 174252789
1-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]azepan-3-ol
CID 167120011
(2S)-1-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 171786492
4-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-difluoro-2-[[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 176883165

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol?
The IUPAC name of 4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol (CID 175816309) is 4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol.
What is the SMILES notation for 4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol?
The canonical SMILES for 4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol is [2H]c1ncc2cc(F)c(-c3cc(O)cc4ccc(F)c(CC)c34)c(F)c2n1.
What is the InChIKey of 4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol?
The InChIKey is BHMKXEUQJINLPU-QOWOAITPSA-N. The full InChI is InChI=1S/C20H13F3N2O/c1-2-13-15(21)4-3-10-5-12(26)7-14(17(10)13)18-16(22)6-11-8-24-9-25-20(11)19(18)23/h3-9,26H,2H2,1H3/i9D.
What are the key properties of 4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol?
4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol has a molecular weight of 355.34 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol is sourced from PubChem (CID 175816309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).