N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide

C25H26N4O2 — CID 46978772

IUPACN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3cccc(Cn4nc(C)cc4C)c3)c(C)nc12
InChIInChI=1S/C25H26N4O2/c1-16-11-17(2)29(28-16)15-20-8-5-7-19(12-20)14-26-25(30)22-13-21-9-6-10-23(31-4)24(21)27-18(22)3/h5-13H,14-15H2,1-4H3,(H,26,30)
InChIKeyQDTYZNHYOBKUTD-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.34
Rot. Bonds6

About N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide

N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 46978772) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide
PubChem CID46978772
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3cccc(Cn4nc(C)cc4C)c3)c(C)nc12
InChIInChI=1S/C25H26N4O2/c1-16-11-17(2)29(28-16)15-20-8-5-7-19(12-20)14-26-25(30)22-13-21-9-6-10-23(31-4)24(21)27-18(22)3/h5-13H,14-15H2,1-4H3,(H,26,30)
InChIKeyQDTYZNHYOBKUTD-UHFFFAOYSA-N
XLogP4.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide (CID 46978772) is N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide is COc1cccc2cc(C(=O)NCc3cccc(Cn4nc(C)cc4C)c3)c(C)nc12.
What is the InChIKey of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is QDTYZNHYOBKUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-11-17(2)29(28-16)15-20-8-5-7-19(12-20)14-26-25(30)22-13-21-9-6-10-23(31-4)24(21)27-18(22)3/h5-13H,14-15H2,1-4H3,(H,26,30).
What are the key properties of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide?
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46978772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).