3-(2-aminoethyl)-8-methylquinazolin-4-one

C11H13N3O — CID 82506522

IUPAC3-(2-aminoethyl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCN)cnc12
InChIInChI=1S/C11H13N3O/c1-8-3-2-4-9-10(8)13-7-14(6-5-12)11(9)15/h2-4,7H,5-6,12H2,1H3
InChIKeyJHRIJYFXPVSZPE-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.66
Rot. Bonds2

About 3-(2-aminoethyl)-8-methylquinazolin-4-one

3-(2-aminoethyl)-8-methylquinazolin-4-one (PubChem CID 82506522) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-8-methylquinazolin-4-one
PubChem CID82506522
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(2-aminoethyl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCN)cnc12
InChIInChI=1S/C11H13N3O/c1-8-3-2-4-9-10(8)13-7-14(6-5-12)11(9)15/h2-4,7H,5-6,12H2,1H3
InChIKeyJHRIJYFXPVSZPE-UHFFFAOYSA-N
XLogP0.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one
CID 71007382
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119607074
N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
CID 46550537
4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 27147734
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
N-[2-(aminomethyl)cyclohexyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119610697
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-8-methylquinazolin-4-one?
The IUPAC name of 3-(2-aminoethyl)-8-methylquinazolin-4-one (CID 82506522) is 3-(2-aminoethyl)-8-methylquinazolin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-8-methylquinazolin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(CCN)cnc12.
What is the InChIKey of 3-(2-aminoethyl)-8-methylquinazolin-4-one?
The InChIKey is JHRIJYFXPVSZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-3-2-4-9-10(8)13-7-14(6-5-12)11(9)15/h2-4,7H,5-6,12H2,1H3.
What are the key properties of 3-(2-aminoethyl)-8-methylquinazolin-4-one?
3-(2-aminoethyl)-8-methylquinazolin-4-one has a molecular weight of 203.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-8-methylquinazolin-4-one is sourced from PubChem (CID 82506522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).