5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid

C21H16Cl2N4O3 — CID 56841702

IUPAC5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid
SMILESCc1cnc2c(C(=O)O)c(Cl)ccc2c1.Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C11H8ClNO2.C10H8ClN3O/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6;11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h2-5H,1H3,(H,14,15);1-6H,12H2
InChIKeyFQPPVRBDGWOFJS-UHFFFAOYSA-N
MW443.29 g/mol
LogP4.36
Rot. Bonds2

About 5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid

5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid (PubChem CID 56841702) has the molecular formula C21H16Cl2N4O3 and a molecular weight of 443.29 g/mol. Its IUPAC name is 5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid
PubChem CID56841702
Molecular FormulaC21H16Cl2N4O3
Molecular Weight443.29 g/mol
Exact Mass442.06
IUPAC Name5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid
SMILESCc1cnc2c(C(=O)O)c(Cl)ccc2c1.Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C11H8ClNO2.C10H8ClN3O/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6;11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h2-5H,1H3,(H,14,15);1-6H,12H2
InChIKeyFQPPVRBDGWOFJS-UHFFFAOYSA-N
XLogP4.36
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride
CID 174825342
1-(7-chloro-3-methylquinolin-8-yl)ethanone;ethane
CID 145100287
5-amino-4-chloro-2-phenylpyridazin-3-one;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 20533646
3,7-dichloroquinoline-8-carboxylic acid;hydrochloride
CID 70394889
5-amino-4-chloro-2-phenylpyridazin-3-one;3,5-dibromo-4-hydroxybenzonitrile
CID 174814217
(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate
CID 66867776
5-amino-2-[3,5-bis(trifluoromethyl)phenyl]-4-chloropyridazin-3-one
CID 20513806
7-chloro-3-methylquinoline-8-carboxylic acid;5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid
CID 137481730
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide
CID 9445658
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664762
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid?
The IUPAC name of 5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid (CID 56841702) is 5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid.
What is the SMILES notation for 5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid?
The canonical SMILES for 5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid is Cc1cnc2c(C(=O)O)c(Cl)ccc2c1.Nc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid?
The InChIKey is FQPPVRBDGWOFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2.C10H8ClN3O/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6;11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h2-5H,1H3,(H,14,15);1-6H,12H2.
What are the key properties of 5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid?
5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid has a molecular weight of 443.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid is sourced from PubChem (CID 56841702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).