2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide

C23H26N4O2S — CID 51928613

IUPAC2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H26N4O2S/c1-17(18-7-3-2-4-8-18)24-22(28)16-30-23-19-9-5-6-10-20(19)25-21(26-23)15-27-11-13-29-14-12-27/h2-10,17H,11-16H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyLNBUAJXDYRCGOQ-QGZVFWFLSA-N
MW422.55 g/mol
LogP3.43
Rot. Bonds7

About 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide

2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 51928613) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
PubChem CID51928613
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H26N4O2S/c1-17(18-7-3-2-4-8-18)24-22(28)16-30-23-19-9-5-6-10-20(19)25-21(26-23)15-27-11-13-29-14-12-27/h2-10,17H,11-16H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyLNBUAJXDYRCGOQ-QGZVFWFLSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46672702
N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678950
N-(2,4-difluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 16581338
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 25451111
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46679323
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-pyrimidin-2-ylpropanamide
CID 55497939
1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 17489315
N-[2-(3-methylphenoxy)ethyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 25451435
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
N-(4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenylacetamide
CID 46678835
(2S)-N-(4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 30239510

Frequently Asked Questions

What is the IUPAC name of 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide (CID 51928613) is 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is LNBUAJXDYRCGOQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-17(18-7-3-2-4-8-18)24-22(28)16-30-23-19-9-5-6-10-20(19)25-21(26-23)15-27-11-13-29-14-12-27/h2-10,17H,11-16H2,1H3,(H,24,28)/t17-/m1/s1.
What are the key properties of 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 51928613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).