3-(1-aminoethyl)-8-methoxyquinazolin-4-one

C11H13N3O2 — CID 117264736

IUPAC3-(1-aminoethyl)-8-methoxyquinazolin-4-one
SMILESCOc1cccc2c(=O)n(C(C)N)cnc12
InChIInChI=1S/C11H13N3O2/c1-7(12)14-6-13-10-8(11(14)15)4-3-5-9(10)16-2/h3-7H,12H2,1-2H3
InChIKeyMUNFZAJVYXTAAO-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.88
Rot. Bonds2

About 3-(1-aminoethyl)-8-methoxyquinazolin-4-one

3-(1-aminoethyl)-8-methoxyquinazolin-4-one (PubChem CID 117264736) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(1-aminoethyl)-8-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-8-methoxyquinazolin-4-one
PubChem CID117264736
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(1-aminoethyl)-8-methoxyquinazolin-4-one
SMILESCOc1cccc2c(=O)n(C(C)N)cnc12
InChIInChI=1S/C11H13N3O2/c1-7(12)14-6-13-10-8(11(14)15)4-3-5-9(10)16-2/h3-7H,12H2,1-2H3
InChIKeyMUNFZAJVYXTAAO-UHFFFAOYSA-N
XLogP0.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluoropropyl)-8-methoxyquinazolin-4-one
CID 166295179
8-methoxy-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 39782631
4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride
CID 129451497
3-(1-aminoethyl)-6-chloroquinazolin-4-one
CID 117264019
5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one
CID 115038305
3-(1-aminoethyl)-5-methylquinazolin-4-one
CID 117263645
1-(7-methoxy-2H-indazol-3-yl)ethanamine
CID 112714941
8-methoxyquinazoline-4-carboxylic acid
CID 105455920
7-methoxy-2-methylindazol-3-amine
CID 177108697
3-(2-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263341
1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine
CID 105471300
6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one
CID 3307924

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-8-methoxyquinazolin-4-one?
The IUPAC name of 3-(1-aminoethyl)-8-methoxyquinazolin-4-one (CID 117264736) is 3-(1-aminoethyl)-8-methoxyquinazolin-4-one.
What is the SMILES notation for 3-(1-aminoethyl)-8-methoxyquinazolin-4-one?
The canonical SMILES for 3-(1-aminoethyl)-8-methoxyquinazolin-4-one is COc1cccc2c(=O)n(C(C)N)cnc12.
What is the InChIKey of 3-(1-aminoethyl)-8-methoxyquinazolin-4-one?
The InChIKey is MUNFZAJVYXTAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(12)14-6-13-10-8(11(14)15)4-3-5-9(10)16-2/h3-7H,12H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-8-methoxyquinazolin-4-one?
3-(1-aminoethyl)-8-methoxyquinazolin-4-one has a molecular weight of 219.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-8-methoxyquinazolin-4-one is sourced from PubChem (CID 117264736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).