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

C33H37F2N5O2 — CID 165123786

IUPAC4-[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
SMILESCOc1nc(N2CCC3CCC(C2)N3)c2ccc(-c3cc(O)cc4ccccc34)c(F)c2n1.FC1CC2CCCN2C1
InChIInChI=1S/C26H25FN4O2.C7H12FN/c1-33-26-29-24-21(25(30-26)31-11-10-16-6-7-17(14-31)28-16)9-8-20(23(24)27)22-13-18(32)12-15-4-2-3-5-19(15)22;8-6-4-7-2-1-3-9(7)5-6/h2-5,8-9,12-13,16-17,28,32H,6-7,10-11,14H2,1H3;6-7H,1-5H2
InChIKeySTJCQYNPMLPJJR-UHFFFAOYSA-N
MW573.69 g/mol
LogP5.83
Rot. Bonds3

About 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

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 (PubChem CID 165123786) has the molecular formula C33H37F2N5O2 and a molecular weight of 573.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID165123786
Molecular FormulaC33H37F2N5O2
Molecular Weight573.69 g/mol
Exact Mass573.29
IUPAC Name4-[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
SMILESCOc1nc(N2CCC3CCC(C2)N3)c2ccc(-c3cc(O)cc4ccccc34)c(F)c2n1.FC1CC2CCCN2C1
InChIInChI=1S/C26H25FN4O2.C7H12FN/c1-33-26-29-24-21(25(30-26)31-11-10-16-6-7-17(14-31)28-16)9-8-20(23(24)27)22-13-18(32)12-15-4-2-3-5-19(15)22;8-6-4-7-2-1-3-9(7)5-6/h2-5,8-9,12-13,16-17,28,32H,6-7,10-11,14H2,1H3;6-7H,1-5H2
InChIKeySTJCQYNPMLPJJR-UHFFFAOYSA-N
XLogP5.83
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.69
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-7-(4-chloronaphthalen-1-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxyquinazoline;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 166102808
4-[4-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 167207441
4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol
CID 170793455
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
1-[3-[7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2,2,2-trifluoroethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 170583572
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
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
1-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]pyrrolidin-3-ol
CID 162766408
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-[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-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxy-7-(2-propan-2-yloxyphenyl)pyrido[4,3-d]pyrimidine;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 156645746
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxy-7-[8-(methoxymethyl)naphthalen-1-yl]pyrido[4,3-d]pyrimidine;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 156645869

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc(N2CCC3CCC(C2)N3)c2ccc(-c3cc(O)cc4ccccc34)c(F)c2n1.FC1CC2CCCN2C1.
What is the InChIKey of 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?
The InChIKey is STJCQYNPMLPJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2.C7H12FN/c1-33-26-29-24-21(25(30-26)31-11-10-16-6-7-17(14-31)28-16)9-8-20(23(24)27)22-13-18(32)12-15-4-2-3-5-19(15)22;8-6-4-7-2-1-3-9(7)5-6/h2-5,8-9,12-13,16-17,28,32H,6-7,10-11,14H2,1H3;6-7H,1-5H2.
What are the key properties of 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?
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 has a molecular weight of 573.69 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165123786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).