2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one

C20H23N3OS — CID 135808168

IUPAC2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one
SMILESCCN(CCSc1ccc(C)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H23N3OS/c1-3-23(12-13-25-16-10-8-15(2)9-11-16)14-19-21-18-7-5-4-6-17(18)20(24)22-19/h4-11H,3,12-14H2,1-2H3,(H,21,22,24)
InChIKeyKCWVOLVOZZMYPA-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.85
Rot. Bonds7

About 2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one

2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135808168) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135808168
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one
SMILESCCN(CCSc1ccc(C)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H23N3OS/c1-3-23(12-13-25-16-10-8-15(2)9-11-16)14-19-21-18-7-5-4-6-17(18)20(24)22-19/h4-11H,3,12-14H2,1-2H3,(H,21,22,24)
InChIKeyKCWVOLVOZZMYPA-UHFFFAOYSA-N
XLogP3.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135750965
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 136688103
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290
2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808096
(2S)-N-benzyl-2-(4-methylphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135909926
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135756515
1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylsulfanylethyl)urea
CID 135549209
2-[[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135751788
4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide
CID 135926229

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one (CID 135808168) is 2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one is CCN(CCSc1ccc(C)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is KCWVOLVOZZMYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-3-23(12-13-25-16-10-8-15(2)9-11-16)14-19-21-18-7-5-4-6-17(18)20(24)22-19/h4-11H,3,12-14H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one?
2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 353.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135808168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).