N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide

C21H19N5OS — CID 24589811

IUPACN-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide
SMILESN#Cc1ccccc1NC(=O)CCSc1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C21H19N5OS/c22-13-14-5-1-3-7-17(14)24-19(27)11-12-28-21-25-18-8-4-2-6-16(18)20(26-21)23-15-9-10-15/h1-8,15H,9-12H2,(H,24,27)(H,23,25,26)
InChIKeyXSLALHIVLTVPNR-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.20
Rot. Bonds7

About N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide

N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide (PubChem CID 24589811) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide
PubChem CID24589811
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide
SMILESN#Cc1ccccc1NC(=O)CCSc1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C21H19N5OS/c22-13-14-5-1-3-7-17(14)24-19(27)11-12-28-21-25-18-8-4-2-6-16(18)20(26-21)23-15-9-10-15/h1-8,15H,9-12H2,(H,24,27)(H,23,25,26)
InChIKeyXSLALHIVLTVPNR-UHFFFAOYSA-N
XLogP4.20
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 38992199
2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 17412559
2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24528473
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetamide
CID 24528462
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 4588733
2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 3656022
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55482155
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetamide
CID 18101534
methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate
CID 154752589
N-(2-cyanophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922534

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide (CID 24589811) is N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide is N#Cc1ccccc1NC(=O)CCSc1nc(NC2CC2)c2ccccc2n1.
What is the InChIKey of N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide?
The InChIKey is XSLALHIVLTVPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c22-13-14-5-1-3-7-17(14)24-19(27)11-12-28-21-25-18-8-4-2-6-16(18)20(26-21)23-15-9-10-15/h1-8,15H,9-12H2,(H,24,27)(H,23,25,26).
What are the key properties of N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide?
N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide has a molecular weight of 389.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 24589811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).