2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one

C19H21N3O2 — CID 769883

IUPAC2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCCN[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C19H21N3O2/c1-4-20-13(2)18-21-15-10-6-5-9-14(15)19(23)22(18)16-11-7-8-12-17(16)24-3/h5-13,20H,4H2,1-3H3/t13-/m0/s1
InChIKeyXNWWFCNWAUFDOF-ZDUSSCGKSA-N
MW323.40 g/mol
LogP3.06
Rot. Bonds5

About 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one

2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 769883) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
PubChem CID769883
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCCN[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C19H21N3O2/c1-4-20-13(2)18-21-15-10-6-5-9-14(15)19(23)22(18)16-11-7-8-12-17(16)24-3/h5-13,20H,4H2,1-3H3/t13-/m0/s1
InChIKeyXNWWFCNWAUFDOF-ZDUSSCGKSA-N
XLogP3.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-1-(butylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7236674
[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7231317
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 1055194
1-benzyl-3-tert-butyl-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42721341
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
2-[1-(butylamino)ethyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3634718
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 42720914
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one (CID 769883) is 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one is CCN[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is XNWWFCNWAUFDOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-20-13(2)18-21-15-10-6-5-9-14(15)19(23)22(18)16-11-7-8-12-17(16)24-3/h5-13,20H,4H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one?
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 769883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).