N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide

C17H13Cl2N3OS — CID 42968881

IUPACN-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESCC(Sc1ncnc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2N3OS/c1-10(16(23)22-15-8-11(18)6-7-13(15)19)24-17-12-4-2-3-5-14(12)20-9-21-17/h2-10H,1H3,(H,22,23)
InChIKeyLCQFSAJOJRHYFU-UHFFFAOYSA-N
MW378.28 g/mol
LogP5.06
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide

N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide (PubChem CID 42968881) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
PubChem CID42968881
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC NameN-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESCC(Sc1ncnc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2N3OS/c1-10(16(23)22-15-8-11(18)6-7-13(15)19)24-17-12-4-2-3-5-14(12)20-9-21-17/h2-10H,1H3,(H,22,23)
InChIKeyLCQFSAJOJRHYFU-UHFFFAOYSA-N
XLogP5.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2429534
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 9325215
N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 78761224
(2R)-N-(2-chloro-4-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 7715762
N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18075928
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
CID 16539514
(2R)-N-[4-(dimethylamino)phenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 2607982
N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 18075984
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide
CID 40789859

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide (CID 42968881) is N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide is CC(Sc1ncnc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The InChIKey is LCQFSAJOJRHYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-10(16(23)22-15-8-11(18)6-7-13(15)19)24-17-12-4-2-3-5-14(12)20-9-21-17/h2-10H,1H3,(H,22,23).
What are the key properties of N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide has a molecular weight of 378.28 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide is sourced from PubChem (CID 42968881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).