N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide

C21H16F2N4O2 — CID 71217375

IUPACN-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn(-c3ccccc3F)c3cc(F)ccc3c2=O)cn1
InChIInChI=1S/C21H16F2N4O2/c1-26-11-14(10-25-26)21(29)24-9-13-12-27(18-5-3-2-4-17(18)23)19-8-15(22)6-7-16(19)20(13)28/h2-8,10-12H,9H2,1H3,(H,24,29)
InChIKeyUHVSQNCUANFUBA-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.93
Rot. Bonds4

About N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 71217375) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID71217375
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC NameN-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn(-c3ccccc3F)c3cc(F)ccc3c2=O)cn1
InChIInChI=1S/C21H16F2N4O2/c1-26-11-14(10-25-26)21(29)24-9-13-12-27(18-5-3-2-4-17(18)23)19-8-15(22)6-7-16(19)20(13)28/h2-8,10-12H,9H2,1H3,(H,24,29)
InChIKeyUHVSQNCUANFUBA-UHFFFAOYSA-N
XLogP2.93
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 71217375) is N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cn(-c3ccccc3F)c3cc(F)ccc3c2=O)cn1.
What is the InChIKey of N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is UHVSQNCUANFUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c1-26-11-14(10-25-26)21(29)24-9-13-12-27(18-5-3-2-4-17(18)23)19-8-15(22)6-7-16(19)20(13)28/h2-8,10-12H,9H2,1H3,(H,24,29).
What are the key properties of N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71217375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).