[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium

C20H24N3O2+ — CID 7365239

IUPAC[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
SMILESCCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C20H23N3O2/c1-4-13-21-14(2)19-22-18-8-6-5-7-17(18)20(24)23(19)15-9-11-16(25-3)12-10-15/h5-12,14,21H,4,13H2,1-3H3/p+1/t14-/m0/s1
InChIKeyOGRVVBARLJUNEQ-AWEZNQCLSA-O
MW338.43 g/mol
LogP2.43
Rot. Bonds6

About [(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium

[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium (PubChem CID 7365239) has the molecular formula C20H24N3O2+ and a molecular weight of 338.43 g/mol. Its IUPAC name is [(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium.

Molecular Properties

Compound Name[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
PubChem CID7365239
Molecular FormulaC20H24N3O2+
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
SMILESCCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C20H23N3O2/c1-4-13-21-14(2)19-22-18-8-6-5-7-17(18)20(24)23(19)15-9-11-16(25-3)12-10-15/h5-12,14,21H,4,13H2,1-3H3/p+1/t14-/m0/s1
InChIKeyOGRVVBARLJUNEQ-AWEZNQCLSA-O
XLogP2.43
TPSA60.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7231317
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
[(1S)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(3-methylbutyl)azanium
CID 7400132
[(1S)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7202114
[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7201794
[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium
CID 7201737
2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
CID 58601638
3-(4-ethoxyphenyl)-2-[(1S)-1-(methylamino)ethyl]quinazolin-4-one
CID 769872
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2,2-dimethylpropanamide
CID 42717165
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
CID 42719240
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium?
The IUPAC name of [(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium (CID 7365239) is [(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium.
What is the SMILES notation for [(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium?
The canonical SMILES for [(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium is CCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1.
What is the InChIKey of [(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium?
The InChIKey is OGRVVBARLJUNEQ-AWEZNQCLSA-O. The full InChI is InChI=1S/C20H23N3O2/c1-4-13-21-14(2)19-22-18-8-6-5-7-17(18)20(24)23(19)15-9-11-16(25-3)12-10-15/h5-12,14,21H,4,13H2,1-3H3/p+1/t14-/m0/s1.
What are the key properties of [(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium?
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium has a molecular weight of 338.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium is sourced from PubChem (CID 7365239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).