3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione

C11H13N3O3 — CID 117262276

IUPAC3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
SMILESCOc1cccc2c1c(=O)n(CN)c(=O)n2C
InChIInChI=1S/C11H13N3O3/c1-13-7-4-3-5-8(17-2)9(7)10(15)14(6-12)11(13)16/h3-5H,6,12H2,1-2H3
InChIKeyLMJZSNUNOOWXCX-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.38
Rot. Bonds2

About 3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione

3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione (PubChem CID 117262276) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
PubChem CID117262276
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
SMILESCOc1cccc2c1c(=O)n(CN)c(=O)n2C
InChIInChI=1S/C11H13N3O3/c1-13-7-4-3-5-8(17-2)9(7)10(15)14(6-12)11(13)16/h3-5H,6,12H2,1-2H3
InChIKeyLMJZSNUNOOWXCX-UHFFFAOYSA-N
XLogP-0.38
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione
CID 132821169
3-(azepan-3-yl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262138
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one
CID 24609427
6,7-difluoro-1-methoxy-10-methylacridin-9-one
CID 102061435
5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
CID 115036593
1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione
CID 141490009
5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione
CID 117262049
5-methoxy-1-methyl-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 18567251
3-chloro-4-methoxy-1-methylindole-2-carboxylic acid
CID 102544072
3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
CID 75485502
4-methoxy-1,2,3-trimethylcyclohepta[c]pyrrol-8-one
CID 804120
methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
CID 67387665

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione (CID 117262276) is 3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione is COc1cccc2c1c(=O)n(CN)c(=O)n2C.
What is the InChIKey of 3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione?
The InChIKey is LMJZSNUNOOWXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-13-7-4-3-5-8(17-2)9(7)10(15)14(6-12)11(13)16/h3-5H,6,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione?
3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 117262276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).