ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium

C19H22N3O+ — CID 7395887

IUPACethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium
SMILESCC[NH2+][C@H](CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H21N3O/c1-3-16(20-4-2)18-21-17-13-9-8-12-15(17)19(23)22(18)14-10-6-5-7-11-14/h5-13,16,20H,3-4H2,1-2H3/p+1/t16-/m1/s1
InChIKeyOKVBBTSALKINFW-MRXNPFEDSA-O
MW308.40 g/mol
LogP2.42
Rot. Bonds5

About ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium

ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium (PubChem CID 7395887) has the molecular formula C19H22N3O+ and a molecular weight of 308.40 g/mol. Its IUPAC name is ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium.

Molecular Properties

Compound Nameethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium
PubChem CID7395887
Molecular FormulaC19H22N3O+
Molecular Weight308.40 g/mol
Exact Mass308.18
IUPAC Nameethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium
SMILESCC[NH2+][C@H](CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H21N3O/c1-3-16(20-4-2)18-21-17-13-9-8-12-15(17)19(23)22(18)14-10-6-5-7-11-14/h5-13,16,20H,3-4H2,1-2H3/p+1/t16-/m1/s1
InChIKeyOKVBBTSALKINFW-MRXNPFEDSA-O
XLogP2.42
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]azaniumyl]ethyl-dimethylazanium
CID 7373471
[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium
CID 7201737
butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium
CID 7288561
N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
CID 42715387
2-ethyl-3-phenylquinazolin-4-one
CID 719985
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
[(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium
CID 7202025
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide
CID 42715437
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
CID 6941034
3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one
CID 1052024
dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium
CID 7412735

Frequently Asked Questions

What is the IUPAC name of ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium?
The IUPAC name of ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium (CID 7395887) is ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium.
What is the SMILES notation for ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium?
The canonical SMILES for ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium is CC[NH2+][C@H](CC)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium?
The InChIKey is OKVBBTSALKINFW-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H21N3O/c1-3-16(20-4-2)18-21-17-13-9-8-12-15(17)19(23)22(18)14-10-6-5-7-11-14/h5-13,16,20H,3-4H2,1-2H3/p+1/t16-/m1/s1.
What are the key properties of ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium?
ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium has a molecular weight of 308.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium is sourced from PubChem (CID 7395887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).