4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

C20H14ClF3N6OS — CID 24621078

IUPAC4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESCCNc1nc(Sc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)nc2ccccc12
InChIInChI=1S/C20H14ClF3N6OS/c1-2-25-17-12-5-3-4-6-13(12)28-19(29-17)32-14-10-27-30(18(31)16(14)21)15-8-7-11(9-26-15)20(22,23)24/h3-10H,2H2,1H3,(H,25,28,29)
InChIKeyDYRMWTUBOAYDJZ-UHFFFAOYSA-N
MW478.89 g/mol
LogP4.83
Rot. Bonds5

About 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (PubChem CID 24621078) has the molecular formula C20H14ClF3N6OS and a molecular weight of 478.89 g/mol. Its IUPAC name is 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
PubChem CID24621078
Molecular FormulaC20H14ClF3N6OS
Molecular Weight478.89 g/mol
Exact Mass478.06
IUPAC Name4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESCCNc1nc(Sc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)nc2ccccc12
InChIInChI=1S/C20H14ClF3N6OS/c1-2-25-17-12-5-3-4-6-13(12)28-19(29-17)32-14-10-27-30(18(31)16(14)21)15-8-7-11(9-26-15)20(22,23)24/h3-10H,2H2,1H3,(H,25,28,29)
InChIKeyDYRMWTUBOAYDJZ-UHFFFAOYSA-N
XLogP4.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24623564
4-chloro-5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 167755249
5-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24564638
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
4-chloro-5-[(2-methyl-1-phenylpropyl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24508450
3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 60507712
N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine
CID 154837193
4-chloro-5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133337934
N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]acetamide
CID 17419898
4-chloro-5-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 60504252
4-chloro-5-(quinolin-8-ylmethylamino)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133277489
4-chloro-5-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24508260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (CID 24621078) is 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is CCNc1nc(Sc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)nc2ccccc12.
What is the InChIKey of 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The InChIKey is DYRMWTUBOAYDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N6OS/c1-2-25-17-12-5-3-4-6-13(12)28-19(29-17)32-14-10-27-30(18(31)16(14)21)15-8-7-11(9-26-15)20(22,23)24/h3-10H,2H2,1H3,(H,25,28,29).
What are the key properties of 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one has a molecular weight of 478.89 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is sourced from PubChem (CID 24621078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).