N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C16H19N3O4S — CID 135735442

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCC1(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O4S/c1-16(8-9-24(22,23)10-16)19-14(20)7-6-13-17-12-5-3-2-4-11(12)15(21)18-13/h2-5H,6-10H2,1H3,(H,19,20)(H,17,18,21)
InChIKeyNALQIXLPEMRRBO-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.55
Rot. Bonds4

About N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135735442) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135735442
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCC1(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O4S/c1-16(8-9-24(22,23)10-16)19-14(20)7-6-13-17-12-5-3-2-4-11(12)15(21)18-13/h2-5H,6-10H2,1H3,(H,19,20)(H,17,18,21)
InChIKeyNALQIXLPEMRRBO-UHFFFAOYSA-N
XLogP0.55
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135735442) is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CC1(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is NALQIXLPEMRRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-16(8-9-24(22,23)10-16)19-14(20)7-6-13-17-12-5-3-2-4-11(12)15(21)18-13/h2-5H,6-10H2,1H3,(H,19,20)(H,17,18,21).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 349.41 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135735442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).