4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile

C30H19N5S — CID 67317431

IUPAC4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile
SMILESN#Cc1ccc2c(Sc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3)ccnc2c1
InChIInChI=1S/C30H19N5S/c31-19-20-10-15-26-27(18-20)32-17-16-28(26)36-23-13-11-22(12-14-23)33-30-25-9-5-4-8-24(25)29(34-35-30)21-6-2-1-3-7-21/h1-18H,(H,33,35)
InChIKeySLOHDIVSOLPBIP-UHFFFAOYSA-N
MW481.58 g/mol
LogP7.61
Rot. Bonds5

About 4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile

4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile (PubChem CID 67317431) has the molecular formula C30H19N5S and a molecular weight of 481.58 g/mol. Its IUPAC name is 4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile.

Molecular Properties

Compound Name4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile
PubChem CID67317431
Molecular FormulaC30H19N5S
Molecular Weight481.58 g/mol
Exact Mass481.14
IUPAC Name4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile
SMILESN#Cc1ccc2c(Sc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3)ccnc2c1
InChIInChI=1S/C30H19N5S/c31-19-20-10-15-26-27(18-20)32-17-16-28(26)36-23-13-11-22(12-14-23)33-30-25-9-5-4-8-24(25)29(34-35-30)21-6-2-1-3-7-21/h1-18H,(H,33,35)
InChIKeySLOHDIVSOLPBIP-UHFFFAOYSA-N
XLogP7.61
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]quinoline-7-carbonitrile
CID 67317676
N-[4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yl]sulfanylphenyl]-4-phenylphthalazin-1-amine
CID 25094824
4-(6-methoxy-2-pyridinyl)-N-(4-quinolin-4-ylsulfanylphenyl)phthalazin-1-amine
CID 90114157
4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine
CID 90113778
4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile
CID 67318035
N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine
CID 59427352
1-N-(7-methoxy-1,5-naphthyridin-4-yl)-4-N-(4-phenylphthalazin-1-yl)benzene-1,4-diamine
CID 59427298
4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile
CID 11493617
N-[4-(5,7-difluoroquinolin-4-yl)oxyphenyl]-4-phenylphthalazin-1-amine
CID 67316188
7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline
CID 139772909
2-[4-[4-(7-fluoro-5-methoxyquinolin-4-yl)sulfanylanilino]phthalazin-1-yl]-5-methylcyclohexa-2,4-diene-1-thione
CID 87354288
4-[[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenyl]sulfanylmethyl]pyridine-2-carboxamide
CID 91180825

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile?
The IUPAC name of 4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile (CID 67317431) is 4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile.
What is the SMILES notation for 4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile?
The canonical SMILES for 4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile is N#Cc1ccc2c(Sc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3)ccnc2c1.
What is the InChIKey of 4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile?
The InChIKey is SLOHDIVSOLPBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5S/c31-19-20-10-15-26-27(18-20)32-17-16-28(26)36-23-13-11-22(12-14-23)33-30-25-9-5-4-8-24(25)29(34-35-30)21-6-2-1-3-7-21/h1-18H,(H,33,35).
What are the key properties of 4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile?
4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile has a molecular weight of 481.58 g/mol, XLogP of 7.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile is sourced from PubChem (CID 67317431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).