3-(1-aminoethyl)-5-methylquinazolin-4-one

C11H13N3O — CID 117263645

IUPAC3-(1-aminoethyl)-5-methylquinazolin-4-one
SMILESCc1cccc2ncn(C(C)N)c(=O)c12
InChIInChI=1S/C11H13N3O/c1-7-4-3-5-9-10(7)11(15)14(6-13-9)8(2)12/h3-6,8H,12H2,1-2H3
InChIKeyCLWLUAWBQLSOJR-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.18
Rot. Bonds1

About 3-(1-aminoethyl)-5-methylquinazolin-4-one

3-(1-aminoethyl)-5-methylquinazolin-4-one (PubChem CID 117263645) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(1-aminoethyl)-5-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-5-methylquinazolin-4-one
PubChem CID117263645
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(1-aminoethyl)-5-methylquinazolin-4-one
SMILESCc1cccc2ncn(C(C)N)c(=O)c12
InChIInChI=1S/C11H13N3O/c1-7-4-3-5-9-10(7)11(15)14(6-13-9)8(2)12/h3-6,8H,12H2,1-2H3
InChIKeyCLWLUAWBQLSOJR-UHFFFAOYSA-N
XLogP1.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one
CID 39819350
3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methylquinazolin-4-one
CID 39814868
5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 91126361
5-methyl-3-pyridin-3-ylquinazolin-4-one
CID 150241032
3-(1-aminoethyl)-6-chloroquinazolin-4-one
CID 117264019
3-(1-aminoethyl)-8-methoxyquinazolin-4-one
CID 117264736
3-(2-aminopropyl)-5-bromoquinazolin-4-one
CID 117263719
(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548
6-amino-3-propan-2-ylquinazolin-4-one
CID 16641534
2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid
CID 83895538
8-chloro-5-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidin-4-one
CID 139494905
1,9-dimethylimidazo[4,5-c]quinoline
CID 10442691

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-5-methylquinazolin-4-one?
The IUPAC name of 3-(1-aminoethyl)-5-methylquinazolin-4-one (CID 117263645) is 3-(1-aminoethyl)-5-methylquinazolin-4-one.
What is the SMILES notation for 3-(1-aminoethyl)-5-methylquinazolin-4-one?
The canonical SMILES for 3-(1-aminoethyl)-5-methylquinazolin-4-one is Cc1cccc2ncn(C(C)N)c(=O)c12.
What is the InChIKey of 3-(1-aminoethyl)-5-methylquinazolin-4-one?
The InChIKey is CLWLUAWBQLSOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-4-3-5-9-10(7)11(15)14(6-13-9)8(2)12/h3-6,8H,12H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-5-methylquinazolin-4-one?
3-(1-aminoethyl)-5-methylquinazolin-4-one has a molecular weight of 203.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-5-methylquinazolin-4-one is sourced from PubChem (CID 117263645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).