2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide

C21H29N3O4S — CID 8581839

IUPAC2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1
InChIInChI=1S/C21H29N3O4S/c1-15(2)27-12-6-10-22-19(25)14-29-21-23-18-9-4-3-8-17(18)20(26)24(21)13-16-7-5-11-28-16/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyQAAVRPHDSIYNSO-MRXNPFEDSA-N
MW419.55 g/mol
LogP2.60
Rot. Bonds10

About 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide

2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 8581839) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID8581839
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1
InChIInChI=1S/C21H29N3O4S/c1-15(2)27-12-6-10-22-19(25)14-29-21-23-18-9-4-3-8-17(18)20(26)24(21)13-16-7-5-11-28-16/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyQAAVRPHDSIYNSO-MRXNPFEDSA-N
XLogP2.60
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-pentylacetamide
CID 17414682
N-[(2S)-3-methylbutan-2-yl]-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7869030
2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide
CID 8581793
N-(1-cyclopropylethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 51215577
N-[(4-methylphenyl)methyl]-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515362
methyl 2-[4-oxo-2-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylquinazolin-3-yl]acetate
CID 8540226
N-carbamoyl-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 2651496
methyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate
CID 3169105
N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 8581810
N-[(2S)-heptan-2-yl]-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 8581829
2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 112781706
N-(2-methylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 3169104

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide (CID 8581839) is 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1.
What is the InChIKey of 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is QAAVRPHDSIYNSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-15(2)27-12-6-10-22-19(25)14-29-21-23-18-9-4-3-8-17(18)20(26)24(21)13-16-7-5-11-28-16/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3,(H,22,25)/t16-/m1/s1.
What are the key properties of 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 419.55 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 8581839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).