methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium

C14H20N3O+ — CID 6941068

IUPACmethyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
SMILESCCCn1c([C@H](C)[NH2+]C)nc2ccccc2c1=O
InChIInChI=1S/C14H19N3O/c1-4-9-17-13(10(2)15-3)16-12-8-6-5-7-11(12)14(17)18/h5-8,10,15H,4,9H2,1-3H3/p+1/t10-/m0/s1
InChIKeySQYWFBMXBHOKQV-JTQLQIEISA-O
MW246.33 g/mol
LogP1.06
Rot. Bonds4

About methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium

methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium (PubChem CID 6941068) has the molecular formula C14H20N3O+ and a molecular weight of 246.33 g/mol. Its IUPAC name is methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
PubChem CID6941068
Molecular FormulaC14H20N3O+
Molecular Weight246.33 g/mol
Exact Mass246.16
IUPAC Namemethyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
SMILESCCCn1c([C@H](C)[NH2+]C)nc2ccccc2c1=O
InChIInChI=1S/C14H19N3O/c1-4-9-17-13(10(2)15-3)16-12-8-6-5-7-11(12)14(17)18/h5-8,10,15H,4,9H2,1-3H3/p+1/t10-/m0/s1
InChIKeySQYWFBMXBHOKQV-JTQLQIEISA-O
XLogP1.06
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
CID 769666
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702
dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium
CID 7412735
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
[(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium
CID 7132449
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756

Frequently Asked Questions

What is the IUPAC name of methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium?
The IUPAC name of methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium (CID 6941068) is methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium.
What is the SMILES notation for methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium?
The canonical SMILES for methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium is CCCn1c([C@H](C)[NH2+]C)nc2ccccc2c1=O.
What is the InChIKey of methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium?
The InChIKey is SQYWFBMXBHOKQV-JTQLQIEISA-O. The full InChI is InChI=1S/C14H19N3O/c1-4-9-17-13(10(2)15-3)16-12-8-6-5-7-11(12)14(17)18/h5-8,10,15H,4,9H2,1-3H3/p+1/t10-/m0/s1.
What are the key properties of methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium?
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium has a molecular weight of 246.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium is sourced from PubChem (CID 6941068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).