N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide

C23H20ClN3O2S — CID 135579915

IUPACN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C23H20ClN3O2S/c1-2-27(13-21-25-20-12-17(24)8-10-19(20)23(29)26-21)22(28)14-30-18-9-7-15-5-3-4-6-16(15)11-18/h3-12H,2,13-14H2,1H3,(H,25,26,29)
InChIKeyYPHOCNZZQWJRMN-UHFFFAOYSA-N
MW437.95 g/mol
LogP4.87
Rot. Bonds6

About N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 135579915) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
PubChem CID135579915
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C23H20ClN3O2S/c1-2-27(13-21-25-20-12-17(24)8-10-19(20)23(29)26-21)22(28)14-30-18-9-7-15-5-3-4-6-16(15)11-18/h3-12H,2,13-14H2,1H3,(H,25,26,29)
InChIKeyYPHOCNZZQWJRMN-UHFFFAOYSA-N
XLogP4.87
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide (CID 135579915) is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide is CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is YPHOCNZZQWJRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-2-27(13-21-25-20-12-17(24)8-10-19(20)23(29)26-21)22(28)14-30-18-9-7-15-5-3-4-6-16(15)11-18/h3-12H,2,13-14H2,1H3,(H,25,26,29).
What are the key properties of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 437.95 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 135579915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).