N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide

C23H26N4O2S — CID 46672702

IUPACN-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)c1C
InChIInChI=1S/C23H26N4O2S/c1-16-6-5-9-19(17(16)2)25-22(28)15-30-23-18-7-3-4-8-20(18)24-21(26-23)14-27-10-12-29-13-11-27/h3-9H,10-15H2,1-2H3,(H,25,28)
InChIKeyMABOXLPEOVCQBP-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.81
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide

N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 46672702) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID46672702
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)c1C
InChIInChI=1S/C23H26N4O2S/c1-16-6-5-9-19(17(16)2)25-22(28)15-30-23-18-7-3-4-8-20(18)24-21(26-23)14-27-10-12-29-13-11-27/h3-9H,10-15H2,1-2H3,(H,25,28)
InChIKeyMABOXLPEOVCQBP-UHFFFAOYSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 16581338
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46679323
N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 51928613
N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678950
N-(2,3-dimethylphenyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166991
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 25451111
N-[2-(3-methylphenoxy)ethyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 25451435
1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 17489315
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 25451162
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide (CID 46672702) is N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide is Cc1cccc(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is MABOXLPEOVCQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-6-5-9-19(17(16)2)25-22(28)15-30-23-18-7-3-4-8-20(18)24-21(26-23)14-27-10-12-29-13-11-27/h3-9H,10-15H2,1-2H3,(H,25,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 422.55 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 46672702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).