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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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).