4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline

C38H24N2OS — CID 141209653

IUPAC4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline
SMILESc1ccc(-c2ccc3nc(-c4ccccn4)c(-c4cccs4)c(-c4ccco4)c3c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C38H24N2OS/c1-2-11-26(12-3-1)28-20-21-30-35(34(28)29-16-8-14-25-13-4-5-15-27(25)29)36(32-18-9-23-41-32)37(33-19-10-24-42-33)38(40-30)31-17-6-7-22-39-31/h1-24H
InChIKeyVCPJMDHBEXVFEO-UHFFFAOYSA-N
MW556.69 g/mol
LogP10.77
Rot. Bonds5

About 4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline

4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline (PubChem CID 141209653) has the molecular formula C38H24N2OS and a molecular weight of 556.69 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline.

Molecular Properties

Compound Name4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline
PubChem CID141209653
Molecular FormulaC38H24N2OS
Molecular Weight556.69 g/mol
Exact Mass556.16
IUPAC Name4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline
SMILESc1ccc(-c2ccc3nc(-c4ccccn4)c(-c4cccs4)c(-c4ccco4)c3c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C38H24N2OS/c1-2-11-26(12-3-1)28-20-21-30-35(34(28)29-16-8-14-25-13-4-5-15-27(25)29)36(32-18-9-23-41-32)37(33-19-10-24-42-33)38(40-30)31-17-6-7-22-39-31/h1-24H
InChIKeyVCPJMDHBEXVFEO-UHFFFAOYSA-N
XLogP10.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.69
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
2-Amino-4-(furan-3-yl)benzonitrile;2-amino-4-naphthalen-1-ylbenzonitrile;2-amino-4-pyridin-3-ylbenzonitrile;2-amino-4-thiophen-3-ylbenzonitrile;2-amino-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 160523100
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile
CID 23437885
7-[5-[(4-Ethylpiperazin-1-yl)methyl]thiophen-3-yl]-4-[4-(furan-3-ylmethyl)anilino]quinoline-3-carbonitrile
CID 23438067
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile
CID 23438197
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile
CID 23438398
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[7-(9H-fluoren-9-yl)-2-(furan-2-yl)-8-methyl-3-thiophen-2-ylnaphthalen-1-yl]pyridine
CID 53850286
2-[3-(Furan-2-yl)quinolin-4-yl]-1,3-thiazole
CID 54225553
2-[3-(Furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline
CID 54311171

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline?
The IUPAC name of 4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline (CID 141209653) is 4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline.
What is the SMILES notation for 4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline?
The canonical SMILES for 4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline is c1ccc(-c2ccc3nc(-c4ccccn4)c(-c4cccs4)c(-c4ccco4)c3c2-c2cccc3ccccc23)cc1.
What is the InChIKey of 4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline?
The InChIKey is VCPJMDHBEXVFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2OS/c1-2-11-26(12-3-1)28-20-21-30-35(34(28)29-16-8-14-25-13-4-5-15-27(25)29)36(32-18-9-23-41-32)37(33-19-10-24-42-33)38(40-30)31-17-6-7-22-39-31/h1-24H.
What are the key properties of 4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline?
4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline has a molecular weight of 556.69 g/mol, XLogP of 10.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-naphthalen-1-yl-6-phenyl-2-pyridin-2-yl-3-thiophen-2-ylquinoline is sourced from PubChem (CID 141209653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).