N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide

C22H19FN4O2 — CID 46975428

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c(C)nc12
InChIInChI=1S/C22H19FN4O2/c1-14-19(10-16-6-4-8-20(29-2)21(16)25-14)22(28)26-18-11-24-27(13-18)12-15-5-3-7-17(23)9-15/h3-11,13H,12H2,1-2H3,(H,26,28)
InChIKeyGLMHVVOGXOMTTG-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.19
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 46975428) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide
PubChem CID46975428
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c(C)nc12
InChIInChI=1S/C22H19FN4O2/c1-14-19(10-16-6-4-8-20(29-2)21(16)25-14)22(28)26-18-11-24-27(13-18)12-15-5-3-7-17(23)9-15/h3-11,13H,12H2,1-2H3,(H,26,28)
InChIKeyGLMHVVOGXOMTTG-UHFFFAOYSA-N
XLogP4.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide (CID 46975428) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide is COc1cccc2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c(C)nc12.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is GLMHVVOGXOMTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14-19(10-16-6-4-8-20(29-2)21(16)25-14)22(28)26-18-11-24-27(13-18)12-15-5-3-7-17(23)9-15/h3-11,13H,12H2,1-2H3,(H,26,28).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-8-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46975428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).