1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide

C22H17N3O3 — CID 109046640

IUPAC1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)c1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C22H17N3O3/c26-21(24-14-18-6-3-13-28-18)16-8-10-17(11-9-16)22(27)25-19-7-1-4-15-5-2-12-23-20(15)19/h1-13H,14H2,(H,24,26)(H,25,27)
InChIKeyLEELVKIRRBVORB-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.01
Rot. Bonds5

About 1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide

1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide (PubChem CID 109046640) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
PubChem CID109046640
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)c1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C22H17N3O3/c26-21(24-14-18-6-3-13-28-18)16-8-10-17(11-9-16)22(27)25-19-7-1-4-15-5-2-12-23-20(15)19/h1-13H,14H2,(H,24,26)(H,25,27)
InChIKeyLEELVKIRRBVORB-UHFFFAOYSA-N
XLogP4.01
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109231433
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide
CID 8024111
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046595
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
1-N-(furan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046656
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109085380
4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046593
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide (CID 109046640) is 1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide is O=C(NCc1ccco1)c1ccc(C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
The InChIKey is LEELVKIRRBVORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-21(24-14-18-6-3-13-28-18)16-8-10-17(11-9-16)22(27)25-19-7-1-4-15-5-2-12-23-20(15)19/h1-13H,14H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide has a molecular weight of 371.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109046640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).