7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine

C28H25N3O2 — CID 44532455

IUPAC7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine
SMILESCN(C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)o1
InChIInChI=1S/C28H25N3O2/c1-31(2)19-24-13-15-28(33-24)20-8-14-25-26(16-17-29-27(25)18-20)30-21-9-11-23(12-10-21)32-22-6-4-3-5-7-22/h3-18H,19H2,1-2H3,(H,29,30)
InChIKeyDQJITXIHHXSGPQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.09
Rot. Bonds7

About 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine

7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine (PubChem CID 44532455) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine
PubChem CID44532455
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine
SMILESCN(C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)o1
InChIInChI=1S/C28H25N3O2/c1-31(2)19-24-13-15-28(33-24)20-8-14-25-26(16-17-29-27(25)18-20)30-21-9-11-23(12-10-21)32-22-6-4-3-5-7-22/h3-18H,19H2,1-2H3,(H,29,30)
InChIKeyDQJITXIHHXSGPQ-UHFFFAOYSA-N
XLogP7.09
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The IUPAC name of 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine (CID 44532455) is 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine is CN(C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)o1.
What is the InChIKey of 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine?
The InChIKey is DQJITXIHHXSGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-31(2)19-24-13-15-28(33-24)20-8-14-25-26(16-17-29-27(25)18-20)30-21-9-11-23(12-10-21)32-22-6-4-3-5-7-22/h3-18H,19H2,1-2H3,(H,29,30).
What are the key properties of 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine?
7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine has a molecular weight of 435.53 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44532455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).