N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide

C25H18N4O3 — CID 50843968

IUPACN-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide
SMILESO=C(Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1)c1nccc2ccccc12
InChIInChI=1S/C25H18N4O3/c30-24(23-21-9-5-4-6-17(21)14-15-26-23)27-19-10-12-20(13-11-19)31-16-22-28-29-25(32-22)18-7-2-1-3-8-18/h1-15H,16H2,(H,27,30)
InChIKeyKVRSWPBLFKNMNK-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.12
Rot. Bonds6

About N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide

N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide (PubChem CID 50843968) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide
PubChem CID50843968
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC NameN-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide
SMILESO=C(Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1)c1nccc2ccccc12
InChIInChI=1S/C25H18N4O3/c30-24(23-21-9-5-4-6-17(21)14-15-26-23)27-19-10-12-20(13-11-19)31-16-22-28-29-25(32-22)18-7-2-1-3-8-18/h1-15H,16H2,(H,27,30)
InChIKeyKVRSWPBLFKNMNK-UHFFFAOYSA-N
XLogP5.12
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 50844264
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 50844203
1-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]indazole-3-carboxamide
CID 50842023
3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50843876
N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]furan-3-carboxamide
CID 50841969
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide
CID 50841846
3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50844096
N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522435
N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793077
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide (CID 50843968) is N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide is O=C(Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1)c1nccc2ccccc12.
What is the InChIKey of N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide?
The InChIKey is KVRSWPBLFKNMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c30-24(23-21-9-5-4-6-17(21)14-15-26-23)27-19-10-12-20(13-11-19)31-16-22-28-29-25(32-22)18-7-2-1-3-8-18/h1-15H,16H2,(H,27,30).
What are the key properties of N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide?
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 50843968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).