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

C26H23N3O3S — CID 17433230

IUPACN-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
SMILESCOc1ccccc1-n1c(SC(C(=O)NC2CC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C26H23N3O3S/c1-32-22-14-8-7-13-21(22)29-25(31)19-11-5-6-12-20(19)28-26(29)33-23(17-9-3-2-4-10-17)24(30)27-18-15-16-18/h2-14,18,23H,15-16H2,1H3,(H,27,30)
InChIKeyDTTCFHRSUYFKAR-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.51
Rot. Bonds7

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

N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide (PubChem CID 17433230) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
PubChem CID17433230
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC NameN-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
SMILESCOc1ccccc1-n1c(SC(C(=O)NC2CC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C26H23N3O3S/c1-32-22-14-8-7-13-21(22)29-25(31)19-11-5-6-12-20(19)28-26(29)33-23(17-9-3-2-4-10-17)24(30)27-18-15-16-18/h2-14,18,23H,15-16H2,1H3,(H,27,30)
InChIKeyDTTCFHRSUYFKAR-UHFFFAOYSA-N
XLogP4.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46824543
N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46824602
N-cyclopropyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46824360
N-cyclopropyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46825180
(2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41156106
2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24570327
N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 25481798
(2S)-N-cyclopentyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631822
N-cyclopropyl-2-(4-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16594395
3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 3968928
(2R)-N-(3,5-dimethylphenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 2417834
N-cyclopropyl-2-(4-fluorophenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 16588555

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide (CID 17433230) is N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide is COc1ccccc1-n1c(SC(C(=O)NC2CC2)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide?
The InChIKey is DTTCFHRSUYFKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-32-22-14-8-7-13-21(22)29-25(31)19-11-5-6-12-20(19)28-26(29)33-23(17-9-3-2-4-10-17)24(30)27-18-15-16-18/h2-14,18,23H,15-16H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide?
N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide has a molecular weight of 457.56 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 17433230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).