N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide

C21H20ClN3O3S — CID 16569833

IUPACN-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
SMILESCC(C)n1c(SCC(=O)NC(=O)Cc2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C21H20ClN3O3S/c1-13(2)25-20(28)16-9-8-15(22)11-17(16)23-21(25)29-12-19(27)24-18(26)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,26,27)
InChIKeyNITDWTXRVKYYPG-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.61
Rot. Bonds6

About N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide

N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide (PubChem CID 16569833) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
PubChem CID16569833
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC NameN-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
SMILESCC(C)n1c(SCC(=O)NC(=O)Cc2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C21H20ClN3O3S/c1-13(2)25-20(28)16-9-8-15(22)11-17(16)23-21(25)29-12-19(27)24-18(26)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,26,27)
InChIKeyNITDWTXRVKYYPG-UHFFFAOYSA-N
XLogP3.61
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide?
The IUPAC name of N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide (CID 16569833) is N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide is CC(C)n1c(SCC(=O)NC(=O)Cc2ccccc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide?
The InChIKey is NITDWTXRVKYYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-13(2)25-20(28)16-9-8-15(22)11-17(16)23-21(25)29-12-19(27)24-18(26)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,26,27).
What are the key properties of N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide?
N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide has a molecular weight of 429.93 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide is sourced from PubChem (CID 16569833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).