butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium

C16H24N3O+ — CID 7288561

IUPACbutyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium
SMILESCCCC[NH2+][C@@H](CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C16H23N3O/c1-4-6-11-17-13(5-2)15-18-14-10-8-7-9-12(14)16(20)19(15)3/h7-10,13,17H,4-6,11H2,1-3H3/p+1/t13-/m0/s1
InChIKeyMEIADIZJTGBNNZ-ZDUSSCGKSA-O
MW274.39 g/mol
LogP1.75
Rot. Bonds6

About butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium

butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium (PubChem CID 7288561) has the molecular formula C16H24N3O+ and a molecular weight of 274.39 g/mol. Its IUPAC name is butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium.

Molecular Properties

Compound Namebutyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium
PubChem CID7288561
Molecular FormulaC16H24N3O+
Molecular Weight274.39 g/mol
Exact Mass274.19
IUPAC Namebutyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium
SMILESCCCC[NH2+][C@@H](CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C16H23N3O/c1-4-6-11-17-13(5-2)15-18-14-10-8-7-9-12(14)16(20)19(15)3/h7-10,13,17H,4-6,11H2,1-3H3/p+1/t13-/m0/s1
InChIKeyMEIADIZJTGBNNZ-ZDUSSCGKSA-O
XLogP1.75
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium
CID 7412735
[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium
CID 7201737
ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium
CID 7395887
2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one
CID 769516
2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one
CID 769523
dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium
CID 7440089
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide
CID 42711941
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide
CID 7361866
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
CID 6941034

Frequently Asked Questions

What is the IUPAC name of butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium?
The IUPAC name of butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium (CID 7288561) is butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium.
What is the SMILES notation for butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium?
The canonical SMILES for butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium is CCCC[NH2+][C@@H](CC)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium?
The InChIKey is MEIADIZJTGBNNZ-ZDUSSCGKSA-O. The full InChI is InChI=1S/C16H23N3O/c1-4-6-11-17-13(5-2)15-18-14-10-8-7-9-12(14)16(20)19(15)3/h7-10,13,17H,4-6,11H2,1-3H3/p+1/t13-/m0/s1.
What are the key properties of butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium?
butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium has a molecular weight of 274.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium is sourced from PubChem (CID 7288561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).