4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one

C20H18ClN3O2 — CID 133361772

IUPAC4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one
SMILESCOc1cccc2c1CCC2Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C20H18ClN3O2/c1-26-18-9-5-8-14-15(18)10-11-16(14)23-17-12-22-24(20(25)19(17)21)13-6-3-2-4-7-13/h2-9,12,16,23H,10-11H2,1H3
InChIKeyNHRQCUFWFZAUOA-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.99
Rot. Bonds4

About 4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one

4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one (PubChem CID 133361772) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one
PubChem CID133361772
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one
SMILESCOc1cccc2c1CCC2Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C20H18ClN3O2/c1-26-18-9-5-8-14-15(18)10-11-16(14)23-17-12-22-24(20(25)19(17)21)13-6-3-2-4-7-13/h2-9,12,16,23H,10-11H2,1H3
InChIKeyNHRQCUFWFZAUOA-UHFFFAOYSA-N
XLogP3.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one (CID 133361772) is 4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one is COc1cccc2c1CCC2Nc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one?
The InChIKey is NHRQCUFWFZAUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-26-18-9-5-8-14-15(18)10-11-16(14)23-17-12-22-24(20(25)19(17)21)13-6-3-2-4-7-13/h2-9,12,16,23H,10-11H2,1H3.
What are the key properties of 4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one?
4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one has a molecular weight of 367.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 133361772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).