N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine

C25H19N3O3S — CID 164619480

IUPACN-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccoc5)c4)ccnc3c2)cc1
InChIInChI=1S/C25H19N3O3S/c1-32(29,30)21-5-2-17(3-6-21)18-4-7-22-23(9-12-27-25(22)14-18)28-20-8-11-26-24(15-20)19-10-13-31-16-19/h2-16H,1H3,(H,26,27,28)
InChIKeyPCPUDOGTYFUPFV-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.70
Rot. Bonds5

About N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine

N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine (PubChem CID 164619480) has the molecular formula C25H19N3O3S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
PubChem CID164619480
Molecular FormulaC25H19N3O3S
Molecular Weight441.51 g/mol
Exact Mass441.11
IUPAC NameN-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccoc5)c4)ccnc3c2)cc1
InChIInChI=1S/C25H19N3O3S/c1-32(29,30)21-5-2-17(3-6-21)18-4-7-22-23(9-12-27-25(22)14-18)28-20-8-11-26-24(15-20)19-10-13-31-16-19/h2-16H,1H3,(H,26,27,28)
InChIKeyPCPUDOGTYFUPFV-UHFFFAOYSA-N
XLogP5.70
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 164609521
CID 164609521
CID 11269083
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CID 118873466
CID 118873466
CID 44444555
CID 44444555
CID 44528836
CID 44528836
CID 44528838
CID 44528838
CID 44532500
CID 44532500
CID 45485421
CID 45485421
CID 45485439
CID 45485439
CID 164620647
CID 164620647
CID 71238462
CID 71238462
CID 71242055
CID 71242055

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine?
The IUPAC name of N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine (CID 164619480) is N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine.
What is the SMILES notation for N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine?
The canonical SMILES for N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine is CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccoc5)c4)ccnc3c2)cc1.
What is the InChIKey of N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine?
The InChIKey is PCPUDOGTYFUPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S/c1-32(29,30)21-5-2-17(3-6-21)18-4-7-22-23(9-12-27-25(22)14-18)28-20-8-11-26-24(15-20)19-10-13-31-16-19/h2-16H,1H3,(H,26,27,28).
What are the key properties of N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine?
N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine has a molecular weight of 441.51 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine is sourced from PubChem (CID 164619480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).