2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid

C18H15N3O4S — CID 3480779

IUPAC2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C18H15N3O4S/c22-15(19-10-16(23)24)11-26-18-20-14-9-5-4-8-13(14)17(25)21(18)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)(H,23,24)
InChIKeyNVFZCMIGMKUQKF-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.68
Rot. Bonds6

About 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid

2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid (PubChem CID 3480779) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
PubChem CID3480779
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C18H15N3O4S/c22-15(19-10-16(23)24)11-26-18-20-14-9-5-4-8-13(14)17(25)21(18)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)(H,23,24)
InChIKeyNVFZCMIGMKUQKF-UHFFFAOYSA-N
XLogP1.68
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid with MolForge

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Related Compounds

methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
CID 18074079
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
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
methyl 2-[[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate
CID 7853603
N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2545587
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
CID 16500228
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 18201372
N-naphthalen-2-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4666942
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3376172

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid (CID 3480779) is 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid is O=C(O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid?
The InChIKey is NVFZCMIGMKUQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-15(19-10-16(23)24)11-26-18-20-14-9-5-4-8-13(14)17(25)21(18)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)(H,23,24).
What are the key properties of 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid?
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid has a molecular weight of 369.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid is sourced from PubChem (CID 3480779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).