N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide

C25H18N4O3 — CID 5111943

IUPACN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1
InChIInChI=1S/C25H18N4O3/c1-31-18-13-11-17(12-14-18)24-28-29-25(32-24)27-23(30)20-15-22(16-7-3-2-4-8-16)26-21-10-6-5-9-19(20)21/h2-15H,1H3,(H,27,29,30)
InChIKeyQMIGETCKSCOQTQ-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.21
Rot. Bonds5

About N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide (PubChem CID 5111943) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
PubChem CID5111943
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1
InChIInChI=1S/C25H18N4O3/c1-31-18-13-11-17(12-14-18)24-28-29-25(32-24)27-23(30)20-15-22(16-7-3-2-4-8-16)26-21-10-6-5-9-19(20)21/h2-15H,1H3,(H,27,29,30)
InChIKeyQMIGETCKSCOQTQ-UHFFFAOYSA-N
XLogP5.21
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Quinoline carboxamide derivative 1
CID 4253236
N-{[2-(4-methoxybenzoyl)hydrazino]carbothioyl}-2-phenyl-4-quinolinecarboxamide
CID 1766005
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 141760476
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 141760481
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-methoxyethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 141760483
5-(4-methoxyphenyl)-N-[1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine
CID 162656996
5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine
CID 162659158
5-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 70685902
4-((2-methylquinolin-4-yl)methoxy)-N-(2-((5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)phenyl)benzamide
CID 136118012
N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 162647604
N-[2-ethoxy-1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 162660785
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 5111944

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide (CID 5111943) is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide is COc1ccc(-c2nnc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The InChIKey is QMIGETCKSCOQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c1-31-18-13-11-17(12-14-18)24-28-29-25(32-24)27-23(30)20-15-22(16-7-3-2-4-8-16)26-21-10-6-5-9-19(20)21/h2-15H,1H3,(H,27,29,30).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 5111943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).