10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine

C35H25ClN2OSe — CID 176668973

IUPAC10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C35H25ClN2OSe/c1-22-11-20-31(38-29-7-3-5-9-32(29)40-33-10-6-4-8-30(33)38)35-34(22)27(23-14-18-26(39-2)19-15-23)21-28(37-35)24-12-16-25(36)17-13-24/h3-21H,1-2H3
InChIKeyRWAYXHLINJBVRM-UHFFFAOYSA-N
MW604.01 g/mol
LogP7.98
Rot. Bonds4

About 10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine

10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine (PubChem CID 176668973) has the molecular formula C35H25ClN2OSe and a molecular weight of 604.01 g/mol. Its IUPAC name is 10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine.

Molecular Properties

Compound Name10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine
PubChem CID176668973
Molecular FormulaC35H25ClN2OSe
Molecular Weight604.01 g/mol
Exact Mass604.08
IUPAC Name10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C35H25ClN2OSe/c1-22-11-20-31(38-29-7-3-5-9-32(29)40-33-10-6-4-8-30(33)38)35-34(22)27(23-14-18-26(39-2)19-15-23)21-28(37-35)24-12-16-25(36)17-13-24/h3-21H,1-2H3
InChIKeyRWAYXHLINJBVRM-UHFFFAOYSA-N
XLogP7.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.01
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897
4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile
CID 176668684
10-[2-(4-chlorophenyl)-5-methyl-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176668733
5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176669093
methyl 4-[4-(4-tert-butylphenyl)-5-methyl-8-phenoxazin-10-ylquinolin-2-yl]benzoate
CID 176668849
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
10-[2-(4-fluorophenyl)-5-methyl-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176669028
4-amino-7-(4-bromophenyl)-5-(4-methoxyphenyl)-3-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2-thione
CID 10052687
10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine
CID 176669081
10-[4-(4-tert-butylphenyl)-2-(4-iodo-6-methylcyclohexa-1,3-dien-1-yl)-5-methylquinolin-8-yl]phenothiazine
CID 176669066
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine?
The IUPAC name of 10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine (CID 176668973) is 10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine.
What is the SMILES notation for 10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine?
The canonical SMILES for 10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine is COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)cc1.
What is the InChIKey of 10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine?
The InChIKey is RWAYXHLINJBVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25ClN2OSe/c1-22-11-20-31(38-29-7-3-5-9-32(29)40-33-10-6-4-8-30(33)38)35-34(22)27(23-14-18-26(39-2)19-15-23)21-28(37-35)24-12-16-25(36)17-13-24/h3-21H,1-2H3.
What are the key properties of 10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine?
10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine has a molecular weight of 604.01 g/mol, XLogP of 7.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine is sourced from PubChem (CID 176668973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).