7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one

C23H21N5O — CID 156888988

IUPAC7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one
SMILESCn1cc2cc(-n3cnc4cc(C5=CC6CCC(C5)N6)ccc4c3=O)ccc2n1
InChIInChI=1S/C23H21N5O/c1-27-12-16-10-19(5-7-21(16)26-27)28-13-24-22-11-14(2-6-20(22)23(28)29)15-8-17-3-4-18(9-15)25-17/h2,5-8,10-13,17-18,25H,3-4,9H2,1H3
InChIKeySBPSAWIIOHVGQW-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.18
Rot. Bonds2

About 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one

7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one (PubChem CID 156888988) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one
PubChem CID156888988
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one
SMILESCn1cc2cc(-n3cnc4cc(C5=CC6CCC(C5)N6)ccc4c3=O)ccc2n1
InChIInChI=1S/C23H21N5O/c1-27-12-16-10-19(5-7-21(16)26-27)28-13-24-22-11-14(2-6-20(22)23(28)29)15-8-17-3-4-18(9-15)25-17/h2,5-8,10-13,17-18,25H,3-4,9H2,1H3
InChIKeySBPSAWIIOHVGQW-UHFFFAOYSA-N
XLogP3.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one with MolForge

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Related Compounds

3-[3-(2-methylindazol-5-yl)-4-oxoquinazolin-7-yl]-8-borabicyclo[3.2.1]oct-2-ene-8-carbonitrile
CID 156889303
3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one
CID 156889049
3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one
CID 156889079
3-[4-amino-3-(methyliminomethyl)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-one
CID 156889275
3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one
CID 156888276
2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one
CID 70644787
8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
CID 139551966
7-chloro-3-(4-methylphenyl)quinazolin-4-one
CID 11334739
4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
CID 168660099
1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670795
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711992
7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
CID 156889025

Frequently Asked Questions

What is the IUPAC name of 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one?
The IUPAC name of 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one (CID 156888988) is 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one?
The canonical SMILES for 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one is Cn1cc2cc(-n3cnc4cc(C5=CC6CCC(C5)N6)ccc4c3=O)ccc2n1.
What is the InChIKey of 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one?
The InChIKey is SBPSAWIIOHVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-27-12-16-10-19(5-7-21(16)26-27)28-13-24-22-11-14(2-6-20(22)23(28)29)15-8-17-3-4-18(9-15)25-17/h2,5-8,10-13,17-18,25H,3-4,9H2,1H3.
What are the key properties of 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one?
7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one has a molecular weight of 383.46 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 156888988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).