7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide

C17H17FN4O2 — CID 50973730

IUPAC7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide
SMILESCOCc1cc(CNC(=O)c2cc(C)nc3cc(F)ccc23)[nH]n1
InChIInChI=1S/C17H17FN4O2/c1-10-5-15(14-4-3-11(18)6-16(14)20-10)17(23)19-8-12-7-13(9-24-2)22-21-12/h3-7H,8-9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyMDSWDRSEHXRANF-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.48
Rot. Bonds5

About 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide

7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide (PubChem CID 50973730) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide
PubChem CID50973730
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide
SMILESCOCc1cc(CNC(=O)c2cc(C)nc3cc(F)ccc23)[nH]n1
InChIInChI=1S/C17H17FN4O2/c1-10-5-15(14-4-3-11(18)6-16(14)20-10)17(23)19-8-12-7-13(9-24-2)22-21-12/h3-7H,8-9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyMDSWDRSEHXRANF-UHFFFAOYSA-N
XLogP2.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide (CID 50973730) is 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide is COCc1cc(CNC(=O)c2cc(C)nc3cc(F)ccc23)[nH]n1.
What is the InChIKey of 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is MDSWDRSEHXRANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-10-5-15(14-4-3-11(18)6-16(14)20-10)17(23)19-8-12-7-13(9-24-2)22-21-12/h3-7H,8-9H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide?
7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 50973730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).