N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide

C23H26N4O2S — CID 1442655

IUPACN-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide
SMILESCCCc1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1
InChIInChI=1S/C23H26N4O2S/c1-2-5-21-25-20-7-4-3-6-19(20)23(26-21)30-16-22(28)24-17-8-10-18(11-9-17)27-12-14-29-15-13-27/h3-4,6-11H,2,5,12-16H2,1H3,(H,24,28)
InChIKeyYRIYLTAWRNXAEK-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.15
Rot. Bonds7

About N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide

N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1442655) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide
PubChem CID1442655
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide
SMILESCCCc1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1
InChIInChI=1S/C23H26N4O2S/c1-2-5-21-25-20-7-4-3-6-19(20)23(26-21)30-16-22(28)24-17-8-10-18(11-9-17)27-12-14-29-15-13-27/h3-4,6-11H,2,5,12-16H2,1H3,(H,24,28)
InChIKeyYRIYLTAWRNXAEK-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-isoquinolin-1-ylsulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 3789968
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 29154591
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2094598
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46672702
2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2458170
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 117089575
N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442832
2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 4798116
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
CID 33171709
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 51928613
N-(4-morpholin-4-ylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 29330541
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide (CID 1442655) is N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide is CCCc1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is YRIYLTAWRNXAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-2-5-21-25-20-7-4-3-6-19(20)23(26-21)30-16-22(28)24-17-8-10-18(11-9-17)27-12-14-29-15-13-27/h3-4,6-11H,2,5,12-16H2,1H3,(H,24,28).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 422.55 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1442655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).