3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one

C21H25N5O — CID 166892259

IUPAC3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one
SMILESCN1C2CCC1CC(n1c(Nc3cccnc3)nc3c(c1=O)=CCCC=3)C2
InChIInChI=1S/C21H25N5O/c1-25-15-8-9-16(25)12-17(11-15)26-20(27)18-6-2-3-7-19(18)24-21(26)23-14-5-4-10-22-13-14/h4-7,10,13,15-17H,2-3,8-9,11-12H2,1H3,(H,23,24)
InChIKeyRELMSUQCELBXPS-UHFFFAOYSA-N
MW363.47 g/mol
LogP1.53
Rot. Bonds3

About 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one

3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one (PubChem CID 166892259) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one
PubChem CID166892259
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one
SMILESCN1C2CCC1CC(n1c(Nc3cccnc3)nc3c(c1=O)=CCCC=3)C2
InChIInChI=1S/C21H25N5O/c1-25-15-8-9-16(25)12-17(11-15)26-20(27)18-6-2-3-7-19(18)24-21(26)23-14-5-4-10-22-13-14/h4-7,10,13,15-17H,2-3,8-9,11-12H2,1H3,(H,23,24)
InChIKeyRELMSUQCELBXPS-UHFFFAOYSA-N
XLogP1.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498374
3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498478
N-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 82537519
6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498463
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
9-cyclopentyl-6-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-N-pyridin-3-ylpurine-2,8-diamine
CID 54760771
N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine
CID 106555167
methyl (2S,3S,5R)-8-methyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 91079858
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate
CID 46226602
4-[[9-cyclopentyl-8-(pyridin-3-ylamino)purin-2-yl]amino]-N-(4-methylpiperazin-1-yl)benzamide
CID 54760772
2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine
CID 155058890

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one?
The IUPAC name of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one (CID 166892259) is 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one?
The canonical SMILES for 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one is CN1C2CCC1CC(n1c(Nc3cccnc3)nc3c(c1=O)=CCCC=3)C2.
What is the InChIKey of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one?
The InChIKey is RELMSUQCELBXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25-15-8-9-16(25)12-17(11-15)26-20(27)18-6-2-3-7-19(18)24-21(26)23-14-5-4-10-22-13-14/h4-7,10,13,15-17H,2-3,8-9,11-12H2,1H3,(H,23,24).
What are the key properties of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one?
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one has a molecular weight of 363.47 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one is sourced from PubChem (CID 166892259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).