4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide

C23H18FN5O3 — CID 142739466

IUPAC4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc3nc(NC(=O)Nc4ccc(F)cc4)ccc23)ccn1
InChIInChI=1S/C23H18FN5O3/c1-25-22(30)19-13-16(11-12-26-19)32-20-4-2-3-18-17(20)9-10-21(28-18)29-23(31)27-15-7-5-14(24)6-8-15/h2-13H,1H3,(H,25,30)(H2,27,28,29,31)
InChIKeyVESVGQRTQBHQSG-UHFFFAOYSA-N
MW431.43 g/mol
LogP4.56
Rot. Bonds5

About 4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 142739466) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID142739466
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC Name4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc3nc(NC(=O)Nc4ccc(F)cc4)ccc23)ccn1
InChIInChI=1S/C23H18FN5O3/c1-25-22(30)19-13-16(11-12-26-19)32-20-4-2-3-18-17(20)9-10-21(28-18)29-23(31)27-15-7-5-14(24)6-8-15/h2-13H,1H3,(H,25,30)(H2,27,28,29,31)
InChIKeyVESVGQRTQBHQSG-UHFFFAOYSA-N
XLogP4.56
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 142739466) is 4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc3nc(NC(=O)Nc4ccc(F)cc4)ccc23)ccn1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is VESVGQRTQBHQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-25-22(30)19-13-16(11-12-26-19)32-20-4-2-3-18-17(20)9-10-21(28-18)29-23(31)27-15-7-5-14(24)6-8-15/h2-13H,1H3,(H,25,30)(H2,27,28,29,31).
What are the key properties of 4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 431.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 142739466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).