3-(2-aminoethyl)-7-methylquinazolin-4-one

C11H13N3O — CID 117264406

IUPAC3-(2-aminoethyl)-7-methylquinazolin-4-one
SMILESCc1ccc2c(=O)n(CCN)cnc2c1
InChIInChI=1S/C11H13N3O/c1-8-2-3-9-10(6-8)13-7-14(5-4-12)11(9)15/h2-3,6-7H,4-5,12H2,1H3
InChIKeyGQKNGQOXFBMAAH-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.66
Rot. Bonds2

About 3-(2-aminoethyl)-7-methylquinazolin-4-one

3-(2-aminoethyl)-7-methylquinazolin-4-one (PubChem CID 117264406) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-7-methylquinazolin-4-one
PubChem CID117264406
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(2-aminoethyl)-7-methylquinazolin-4-one
SMILESCc1ccc2c(=O)n(CCN)cnc2c1
InChIInChI=1S/C11H13N3O/c1-8-2-3-9-10(6-8)13-7-14(5-4-12)11(9)15/h2-3,6-7H,4-5,12H2,1H3
InChIKeyGQKNGQOXFBMAAH-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-hydroxyethyl)-7-methylquinazolin-4-one
CID 117264165
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503
3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
CID 45371352
3-(2-hydroxypropyl)-7-methylquinazolin-4-one
CID 117264166
3-(2-chloroethyl)-8-methylpyrimido[5,4-c]quinolin-4-one
CID 53376674
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
3-ethyl-6-methylquinazolin-4-one
CID 70641598
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
3-[2-(2,5-dimethylphenoxy)ethyl]-7-nitroquinazolin-4-one
CID 84602128
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7-methylquinazolin-4-one?
The IUPAC name of 3-(2-aminoethyl)-7-methylquinazolin-4-one (CID 117264406) is 3-(2-aminoethyl)-7-methylquinazolin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-7-methylquinazolin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-7-methylquinazolin-4-one is Cc1ccc2c(=O)n(CCN)cnc2c1.
What is the InChIKey of 3-(2-aminoethyl)-7-methylquinazolin-4-one?
The InChIKey is GQKNGQOXFBMAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-2-3-9-10(6-8)13-7-14(5-4-12)11(9)15/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 3-(2-aminoethyl)-7-methylquinazolin-4-one?
3-(2-aminoethyl)-7-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)-7-methylquinazolin-4-one is sourced from PubChem (CID 117264406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).