7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline

C48H31N5OS — CID 141008286

IUPAC7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline
SMILESc1ccc(Cc2c(-c3cccs3)c(-c3ccco3)c3c(-c4ccccn4)c(-c4ncccn4)nc(-c4ccc5ccccc5n4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C48H31N5OS/c1-3-14-31(15-4-1)30-34-40(33-17-5-2-6-18-33)45-44(43(38-21-11-28-54-38)41(34)39-22-12-29-55-39)42(36-20-9-10-25-49-36)47(48-50-26-13-27-51-48)53-46(45)37-24-23-32-16-7-8-19-35(32)52-37/h1-29H,30H2
InChIKeyLRRKXGSFLZHZQZ-UHFFFAOYSA-N
MW725.88 g/mol
LogP12.22
Rot. Bonds8

About 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline

7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline (PubChem CID 141008286) has the molecular formula C48H31N5OS and a molecular weight of 725.88 g/mol. Its IUPAC name is 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline.

Molecular Properties

Compound Name7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline
PubChem CID141008286
Molecular FormulaC48H31N5OS
Molecular Weight725.88 g/mol
Exact Mass725.22
IUPAC Name7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline
SMILESc1ccc(Cc2c(-c3cccs3)c(-c3ccco3)c3c(-c4ccccn4)c(-c4ncccn4)nc(-c4ccc5ccccc5n4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C48H31N5OS/c1-3-14-31(15-4-1)30-34-40(33-17-5-2-6-18-33)45-44(43(38-21-11-28-54-38)41(34)39-22-12-29-55-39)42(36-20-9-10-25-49-36)47(48-50-26-13-27-51-48)53-46(45)37-24-23-32-16-7-8-19-35(32)52-37/h1-29H,30H2
InChIKeyLRRKXGSFLZHZQZ-UHFFFAOYSA-N
XLogP12.22
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.88
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline with MolForge

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Launch Full Analysis

Related Compounds

6-(3-furanyl)-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 44968224
6-(furan-2-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 44223933
6-(furan-2-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 44223940
N-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 44968220
5,21-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,12,17(22),18,20-nonaene;N-phenyl-1-(3-pyridin-2-ylphenyl)ethanimine;N-phenyl-1-(3-pyridin-2-ylphenyl)methanimine;N-phenyl-1-(5-pyridin-2-ylthiophen-3-yl)methanimine;9-pyridin-2-yl-5,6-dihydrobenzo[h]quinoline;2-(4-pyridin-2-ylfuran-2-yl)pyridine;2-(3-pyridin-2-ylphenyl)pyridine;2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]pyrimidine
CID 157645742
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[8-(Furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
CID 54326698
N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 67117637
6-(furan-2-yl)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 117657888
2-Dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine
CID 118477913
5-[6-(6-Dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915
5-[5-(6-Dibenzofuran-4-yl-3-pyridinyl)naphthalen-1-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477967

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline?
The IUPAC name of 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline (CID 141008286) is 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline.
What is the SMILES notation for 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline?
The canonical SMILES for 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline is c1ccc(Cc2c(-c3cccs3)c(-c3ccco3)c3c(-c4ccccn4)c(-c4ncccn4)nc(-c4ccc5ccccc5n4)c3c2-c2ccccc2)cc1.
What is the InChIKey of 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline?
The InChIKey is LRRKXGSFLZHZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5OS/c1-3-14-31(15-4-1)30-34-40(33-17-5-2-6-18-33)45-44(43(38-21-11-28-54-38)41(34)39-22-12-29-55-39)42(36-20-9-10-25-49-36)47(48-50-26-13-27-51-48)53-46(45)37-24-23-32-16-7-8-19-35(32)52-37/h1-29H,30H2.
What are the key properties of 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline?
7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline has a molecular weight of 725.88 g/mol, XLogP of 12.22, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline is sourced from PubChem (CID 141008286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).