methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate

C19H17N3O4S — CID 18074079

IUPACmethyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17N3O4S/c1-26-17(24)11-20-16(23)12-27-19-21-15-10-6-5-9-14(15)18(25)22(19)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyAYLHXKUITWJXBO-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.77
Rot. Bonds6

About methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate

methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate (PubChem CID 18074079) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
PubChem CID18074079
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Namemethyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17N3O4S/c1-26-17(24)11-20-16(23)12-27-19-21-15-10-6-5-9-14(15)18(25)22(19)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyAYLHXKUITWJXBO-UHFFFAOYSA-N
XLogP1.77
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate
CID 7853603
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779
methyl 2-[[2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate
CID 7843946
methyl 2-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate
CID 9360664
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410
N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide
CID 46606044
N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2545587
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 18201372
N-[(4-methoxyphenyl)methyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112779491
methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
CID 17403778
N-(tert-butylcarbamoyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2652620
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate (CID 18074079) is methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate is COC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate?
The InChIKey is AYLHXKUITWJXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-26-17(24)11-20-16(23)12-27-19-21-15-10-6-5-9-14(15)18(25)22(19)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,23).
What are the key properties of methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate?
methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate has a molecular weight of 383.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate is sourced from PubChem (CID 18074079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).