2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C24H22F2N4O2 — CID 137222536

IUPAC2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOc1cc(F)c(Cn2nc(-c3nc4c(c(=O)[nH]3)CCCC4)c3ccccc32)c(F)c1
InChIInChI=1S/C24H22F2N4O2/c1-2-32-14-11-18(25)17(19(26)12-14)13-30-21-10-6-4-8-16(21)22(29-30)23-27-20-9-5-3-7-15(20)24(31)28-23/h4,6,8,10-12H,2-3,5,7,9,13H2,1H3,(H,27,28,31)
InChIKeyQJDHNPZCZLDSMH-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.39
Rot. Bonds5

About 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 137222536) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID137222536
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC Name2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOc1cc(F)c(Cn2nc(-c3nc4c(c(=O)[nH]3)CCCC4)c3ccccc32)c(F)c1
InChIInChI=1S/C24H22F2N4O2/c1-2-32-14-11-18(25)17(19(26)12-14)13-30-21-10-6-4-8-16(21)22(29-30)23-27-20-9-5-3-7-15(20)24(31)28-23/h4,6,8,10-12H,2-3,5,7,9,13H2,1H3,(H,27,28,31)
InChIKeyQJDHNPZCZLDSMH-UHFFFAOYSA-N
XLogP4.39
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 118962732
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-ethyl-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 118962558
N-[4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-hydroxypyrimidin-4-yl]amino]-5-methyl-2-pyridinyl]acetamide
CID 137254613
2-[3,5-difluoro-4-[[3-[4-[(3-methyl-4-pyridinyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol
CID 118962673
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridazin-4-ylpyrimidin-4-amine
CID 86268107
N-[[4-amino-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]methyl]formamide
CID 130449722
tert-butyl 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-4-(trifluoromethylsulfonyloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 130449715
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-morpholin-4-yl-4-N,6-N-di(pyrimidin-4-yl)pyrimidine-4,6-diamine
CID 118877151
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidine-4,6-diamine
CID 140702516
1-[4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-hydroxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-one
CID 158548817
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine
CID 86268507
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-3,5,6,7,8,8a-hexahydroquinazolin-4-amine
CID 118972185

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 137222536) is 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CCOc1cc(F)c(Cn2nc(-c3nc4c(c(=O)[nH]3)CCCC4)c3ccccc32)c(F)c1.
What is the InChIKey of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is QJDHNPZCZLDSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-2-32-14-11-18(25)17(19(26)12-14)13-30-21-10-6-4-8-16(21)22(29-30)23-27-20-9-5-3-7-15(20)24(31)28-23/h4,6,8,10-12H,2-3,5,7,9,13H2,1H3,(H,27,28,31).
What are the key properties of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 436.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 137222536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).