N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C16H19N3O3S — CID 7954411

IUPACN-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCCO)NC1CC1
InChIInChI=1S/C16H19N3O3S/c20-9-3-8-19-15(22)12-4-1-2-5-13(12)18-16(19)23-10-14(21)17-11-6-7-11/h1-2,4-5,11,20H,3,6-10H2,(H,17,21)
InChIKeySWDWFTAHTIYTBY-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.15
Rot. Bonds7

About N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 7954411) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID7954411
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCCO)NC1CC1
InChIInChI=1S/C16H19N3O3S/c20-9-3-8-19-15(22)12-4-1-2-5-13(12)18-16(19)23-10-14(21)17-11-6-7-11/h1-2,4-5,11,20H,3,6-10H2,(H,17,21)
InChIKeySWDWFTAHTIYTBY-UHFFFAOYSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 7954411) is N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1CCCO)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is SWDWFTAHTIYTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-9-3-8-19-15(22)12-4-1-2-5-13(12)18-16(19)23-10-14(21)17-11-6-7-11/h1-2,4-5,11,20H,3,6-10H2,(H,17,21).
What are the key properties of N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 333.41 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 7954411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).