dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium

C20H23N4O2+ — CID 8936990

IUPACdimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium
SMILESC[NH+](C)C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-23(2)12-18(15-8-4-3-5-9-15)22-19(25)13-24-14-21-17-11-7-6-10-16(17)20(24)26/h3-11,14,18H,12-13H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1
InChIKeySBEQGYZAEHWQKG-GOSISDBHSA-O
MW351.43 g/mol
LogP0.40
Rot. Bonds6

About dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium

dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium (PubChem CID 8936990) has the molecular formula C20H23N4O2+ and a molecular weight of 351.43 g/mol. Its IUPAC name is dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium
PubChem CID8936990
Molecular FormulaC20H23N4O2+
Molecular Weight351.43 g/mol
Exact Mass351.18
IUPAC Namedimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium
SMILESC[NH+](C)C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-23(2)12-18(15-8-4-3-5-9-15)22-19(25)13-24-14-21-17-11-7-6-10-16(17)20(24)26/h3-11,14,18H,12-13H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1
InChIKeySBEQGYZAEHWQKG-GOSISDBHSA-O
XLogP0.40
TPSA68.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium with MolForge

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Related Compounds

(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9297441
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9149228
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51202356
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8607668
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide
CID 8607690
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium?
The IUPAC name of dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium (CID 8936990) is dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium.
What is the SMILES notation for dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium?
The canonical SMILES for dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium is C[NH+](C)C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium?
The InChIKey is SBEQGYZAEHWQKG-GOSISDBHSA-O. The full InChI is InChI=1S/C20H22N4O2/c1-23(2)12-18(15-8-4-3-5-9-15)22-19(25)13-24-14-21-17-11-7-6-10-16(17)20(24)26/h3-11,14,18H,12-13H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1.
What are the key properties of dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium?
dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium has a molecular weight of 351.43 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium is sourced from PubChem (CID 8936990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).