2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide

C25H21N5O2 — CID 16574165

IUPAC2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3ccc(-n4cncn4)cc3)c3ccccc3n2)o1
InChIInChI=1S/C25H21N5O2/c1-16-7-12-24(32-16)23-13-21(20-5-3-4-6-22(20)29-23)25(31)28-17(2)18-8-10-19(11-9-18)30-15-26-14-27-30/h3-15,17H,1-2H3,(H,28,31)
InChIKeyPHFGIOYQQNIOIF-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.87
Rot. Bonds5

About 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide

2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide (PubChem CID 16574165) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
PubChem CID16574165
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3ccc(-n4cncn4)cc3)c3ccccc3n2)o1
InChIInChI=1S/C25H21N5O2/c1-16-7-12-24(32-16)23-13-21(20-5-3-4-6-22(20)29-23)25(31)28-17(2)18-8-10-19(11-9-18)30-15-26-14-27-30/h3-15,17H,1-2H3,(H,28,31)
InChIKeyPHFGIOYQQNIOIF-UHFFFAOYSA-N
XLogP4.87
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
CID 16574185
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 9266940
2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 18871547
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2483564
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide
CID 55663277

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide (CID 16574165) is 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)c3ccc(-n4cncn4)cc3)c3ccccc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide?
The InChIKey is PHFGIOYQQNIOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-16-7-12-24(32-16)23-13-21(20-5-3-4-6-22(20)29-23)25(31)28-17(2)18-8-10-19(11-9-18)30-15-26-14-27-30/h3-15,17H,1-2H3,(H,28,31).
What are the key properties of 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 16574165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).