2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide

C26H21N3O2 — CID 43853827

IUPAC2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)c2c1
InChIInChI=1S/C26H21N3O2/c1-15-11-16(2)25-20(12-15)22(13-17(3)27-25)29-26(30)19-14-23(24-9-6-10-31-24)28-21-8-5-4-7-18(19)21/h4-14H,1-3H3,(H,27,29,30)
InChIKeyRVOCFEFYKSDIEC-UHFFFAOYSA-N
MW407.47 g/mol
LogP6.22
Rot. Bonds3

About 2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide

2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide (PubChem CID 43853827) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide
PubChem CID43853827
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)c2c1
InChIInChI=1S/C26H21N3O2/c1-15-11-16(2)25-20(12-15)22(13-17(3)27-25)29-26(30)19-14-23(24-9-6-10-31-24)28-21-8-5-4-7-18(19)21/h4-14H,1-3H3,(H,27,29,30)
InChIKeyRVOCFEFYKSDIEC-UHFFFAOYSA-N
XLogP6.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4601921
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
2-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 8011201
2-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 2361912
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide (CID 43853827) is 2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide is Cc1cc(C)c2nc(C)cc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)c2c1.
What is the InChIKey of 2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide?
The InChIKey is RVOCFEFYKSDIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-15-11-16(2)25-20(12-15)22(13-17(3)27-25)29-26(30)19-14-23(24-9-6-10-31-24)28-21-8-5-4-7-18(19)21/h4-14H,1-3H3,(H,27,29,30).
What are the key properties of 2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 43853827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).