4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol

C23H21FN4O2 — CID 170793455

IUPAC4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol
SMILESCOc1nc(N2CCNCC2)c2ccc(-c3cc(O)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C23H21FN4O2/c1-30-23-26-21-18(22(27-23)28-10-8-25-9-11-28)7-6-17(20(21)24)19-13-15(29)12-14-4-2-3-5-16(14)19/h2-7,12-13,25,29H,8-11H2,1H3
InChIKeySFYXZDHVWDDLFJ-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.71
Rot. Bonds3

About 4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol

4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol (PubChem CID 170793455) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol.

Molecular Properties

Compound Name4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol
PubChem CID170793455
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol
SMILESCOc1nc(N2CCNCC2)c2ccc(-c3cc(O)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C23H21FN4O2/c1-30-23-26-21-18(22(27-23)28-10-8-25-9-11-28)7-6-17(20(21)24)19-13-15(29)12-14-4-2-3-5-16(14)19/h2-7,12-13,25,29H,8-11H2,1H3
InChIKeySFYXZDHVWDDLFJ-UHFFFAOYSA-N
XLogP3.71
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoro-2-methoxyquinazolin-7-yl]naphthalen-2-ol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 165123786
4-[8-fluoro-2-methoxy-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 166157405
methyl 3-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]oxy-2,2-dimethylpropanoate
CID 162766026
4-[2-(3-amino-2,2-dimethylpropoxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoroquinazolin-7-yl]naphthalen-2-ol
CID 175854173
4-[2-(3-amino-2,2-dimethylpropoxy)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol
CID 162765842
4-[4-(1,4-diazepan-1-yl)-8-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 164878662
4-[4-(4,7-diazaspiro[2.5]octan-7-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 170683507
2-[4-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-methoxyquinazolin-4-yl]-1-[(Z)-2-fluoro-3-pyridin-2-ylprop-2-enoyl]piperazin-2-yl]acetonitrile
CID 170793550
2-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]oxymethyl]propane-1,3-diol
CID 162765776
7-bromo-6-chloro-8-fluoro-2-methoxy-4-piperazin-1-ylquinazoline
CID 165123929
4-[2-[2-(azetidin-1-yl)ethoxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol
CID 162766360
2-[4-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-methoxyquinazolin-4-yl]-1-[(Z)-2-fluoro-3-pyrimidin-2-ylprop-2-enoyl]piperazin-2-yl]acetonitrile;1-methylpyrrolidine
CID 170793601

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol?
The IUPAC name of 4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol (CID 170793455) is 4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol.
What is the SMILES notation for 4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol?
The canonical SMILES for 4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol is COc1nc(N2CCNCC2)c2ccc(-c3cc(O)cc4ccccc34)c(F)c2n1.
What is the InChIKey of 4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol?
The InChIKey is SFYXZDHVWDDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-30-23-26-21-18(22(27-23)28-10-8-25-9-11-28)7-6-17(20(21)24)19-13-15(29)12-14-4-2-3-5-16(14)19/h2-7,12-13,25,29H,8-11H2,1H3.
What are the key properties of 4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol?
4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol has a molecular weight of 404.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol is sourced from PubChem (CID 170793455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).