3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one

C14H19N3O2 — CID 107506094

IUPAC3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one
SMILESCCNC(COC)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C14H19N3O2/c1-3-15-11(9-19-2)8-17-10-16-13-7-5-4-6-12(13)14(17)18/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyZXTGWTQTDDCJLN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.02
Rot. Bonds6

About 3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one

3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one (PubChem CID 107506094) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one
PubChem CID107506094
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one
SMILESCCNC(COC)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C14H19N3O2/c1-3-15-11(9-19-2)8-17-10-16-13-7-5-4-6-12(13)14(17)18/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyZXTGWTQTDDCJLN-UHFFFAOYSA-N
XLogP1.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 107506237
3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one
CID 104747287
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
N-[(2R)-1-methoxypropan-2-yl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 95159752
3-[2-(bromomethyl)butyl]quinazolin-4-one
CID 64995247
3-propylquinazolin-4-one
CID 529124
3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
CID 3026481
3-(3-amino-2-hydroxypropyl)quinazolin-4-one
CID 43212309
3-(4-oxoquinazolin-3-yl)-2-phenylpropanenitrile
CID 64536553
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
CID 110885190
3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one
CID 51283425
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one?
The IUPAC name of 3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one (CID 107506094) is 3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one is CCNC(COC)Cn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one?
The InChIKey is ZXTGWTQTDDCJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-15-11(9-19-2)8-17-10-16-13-7-5-4-6-12(13)14(17)18/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of 3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one?
3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one is sourced from PubChem (CID 107506094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).