methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium

C17H26N3O+ — CID 21150141

IUPACmethyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium
SMILESCCC[N+](C)(CCC)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C17H26N3O/c1-4-11-20(3,12-5-2)13-10-19-14-18-16-9-7-6-8-15(16)17(19)21/h6-9,14H,4-5,10-13H2,1-3H3/q+1
InChIKeyOORXTCCVLPFAQJ-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.66
Rot. Bonds7

About methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium

methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium (PubChem CID 21150141) has the molecular formula C17H26N3O+ and a molecular weight of 288.41 g/mol. Its IUPAC name is methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium.

Molecular Properties

Compound Namemethyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium
PubChem CID21150141
Molecular FormulaC17H26N3O+
Molecular Weight288.41 g/mol
Exact Mass288.21
IUPAC Namemethyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium
SMILESCCC[N+](C)(CCC)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C17H26N3O/c1-4-11-20(3,12-5-2)13-10-19-14-18-16-9-7-6-8-15(16)17(19)21/h6-9,14H,4-5,10-13H2,1-3H3/q+1
InChIKeyOORXTCCVLPFAQJ-UHFFFAOYSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-propylquinazolin-4-one
CID 529124
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
CID 3026481
3-prop-2-ynylquinazolin-4-one
CID 603496
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
CID 62563376
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium?
The IUPAC name of methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium (CID 21150141) is methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium.
What is the SMILES notation for methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium?
The canonical SMILES for methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium is CCC[N+](C)(CCC)CCn1cnc2ccccc2c1=O.
What is the InChIKey of methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium?
The InChIKey is OORXTCCVLPFAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N3O/c1-4-11-20(3,12-5-2)13-10-19-14-18-16-9-7-6-8-15(16)17(19)21/h6-9,14H,4-5,10-13H2,1-3H3/q+1.
What are the key properties of methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium?
methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium has a molecular weight of 288.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium is sourced from PubChem (CID 21150141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).