N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide

C19H18FN3O4S2 — CID 168951120

IUPACN-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide
SMILESCOc1cc(F)c2nc(C)nc(SCC(=O)c3ccc(CNC(=O)CO)s3)c2c1
InChIInChI=1S/C19H18FN3O4S2/c1-10-22-18-13(5-11(27-2)6-14(18)20)19(23-10)28-9-15(25)16-4-3-12(29-16)7-21-17(26)8-24/h3-6,24H,7-9H2,1-2H3,(H,21,26)
InChIKeyKDSMGDJYAAUAOP-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.73
Rot. Bonds8

About N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide

N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide (PubChem CID 168951120) has the molecular formula C19H18FN3O4S2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide
PubChem CID168951120
Molecular FormulaC19H18FN3O4S2
Molecular Weight435.50 g/mol
Exact Mass435.07
IUPAC NameN-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide
SMILESCOc1cc(F)c2nc(C)nc(SCC(=O)c3ccc(CNC(=O)CO)s3)c2c1
InChIInChI=1S/C19H18FN3O4S2/c1-10-22-18-13(5-11(27-2)6-14(18)20)19(23-10)28-9-15(25)16-4-3-12(29-16)7-21-17(26)8-24/h3-6,24H,7-9H2,1-2H3,(H,21,26)
InChIKeyKDSMGDJYAAUAOP-UHFFFAOYSA-N
XLogP2.73
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide (CID 168951120) is N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide is COc1cc(F)c2nc(C)nc(SCC(=O)c3ccc(CNC(=O)CO)s3)c2c1.
What is the InChIKey of N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide?
The InChIKey is KDSMGDJYAAUAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S2/c1-10-22-18-13(5-11(27-2)6-14(18)20)19(23-10)28-9-15(25)16-4-3-12(29-16)7-21-17(26)8-24/h3-6,24H,7-9H2,1-2H3,(H,21,26).
What are the key properties of N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide?
N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide has a molecular weight of 435.50 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(8-fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 168951120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).