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

C20H19N3O3S — CID 2585104

IUPACN-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2c(SCC(=O)NC3CC3)nc3ccccc3c2=O)c1
InChIInChI=1S/C20H19N3O3S/c1-26-15-6-4-5-14(11-15)23-19(25)16-7-2-3-8-17(16)22-20(23)27-12-18(24)21-13-9-10-13/h2-8,11,13H,9-10,12H2,1H3,(H,21,24)
InChIKeyZSFXLGLGNCIGPY-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.77
Rot. Bonds6

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

N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 2585104) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID2585104
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2c(SCC(=O)NC3CC3)nc3ccccc3c2=O)c1
InChIInChI=1S/C20H19N3O3S/c1-26-15-6-4-5-14(11-15)23-19(25)16-7-2-3-8-17(16)22-20(23)27-12-18(24)21-13-9-10-13/h2-8,11,13H,9-10,12H2,1H3,(H,21,24)
InChIKeyZSFXLGLGNCIGPY-UHFFFAOYSA-N
XLogP2.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 2585104) is N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COc1cccc(-n2c(SCC(=O)NC3CC3)nc3ccccc3c2=O)c1.
What is the InChIKey of N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is ZSFXLGLGNCIGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-26-15-6-4-5-14(11-15)23-19(25)16-7-2-3-8-17(16)22-20(23)27-12-18(24)21-13-9-10-13/h2-8,11,13H,9-10,12H2,1H3,(H,21,24).
What are the key properties of N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 381.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2585104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).