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

C20H24N3O2+ — CID 7231317

IUPAC[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
SMILESCCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C20H23N3O2/c1-4-13-21-14(2)19-22-16-10-6-5-9-15(16)20(24)23(19)17-11-7-8-12-18(17)25-3/h5-12,14,21H,4,13H2,1-3H3/p+1/t14-/m0/s1
InChIKeyJEXAWJFNEJIHDA-AWEZNQCLSA-O
MW338.43 g/mol
LogP2.43
Rot. Bonds6

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

[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium (PubChem CID 7231317) has the molecular formula C20H24N3O2+ and a molecular weight of 338.43 g/mol. Its IUPAC name is [(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium.

Molecular Properties

Compound Name[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
PubChem CID7231317
Molecular FormulaC20H24N3O2+
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
SMILESCCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C20H23N3O2/c1-4-13-21-14(2)19-22-16-10-6-5-9-15(16)20(24)23(19)17-11-7-8-12-18(17)25-3/h5-12,14,21H,4,13H2,1-3H3/p+1/t14-/m0/s1
InChIKeyJEXAWJFNEJIHDA-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-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 769883
2-[(1S)-1-(butylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7236674
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 42720914
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 58710167
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide
CID 42720910
[(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium
CID 6961786
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
ethyl 4-[butyl-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 4316094
N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42720989
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium?
The IUPAC name of [(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium (CID 7231317) is [(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium.
What is the SMILES notation for [(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium?
The canonical SMILES for [(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium is CCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of [(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium?
The InChIKey is JEXAWJFNEJIHDA-AWEZNQCLSA-O. The full InChI is InChI=1S/C20H23N3O2/c1-4-13-21-14(2)19-22-16-10-6-5-9-15(16)20(24)23(19)17-11-7-8-12-18(17)25-3/h5-12,14,21H,4,13H2,1-3H3/p+1/t14-/m0/s1.
What are the key properties of [(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium?
[(1S)-1-[3-(2-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-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium is sourced from PubChem (CID 7231317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).