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

C23H17F2N5O3 — CID 142739462

IUPAC4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc3nc(NC(=O)Nc4ccc(F)cc4F)ccc23)ccn1
InChIInChI=1S/C23H17F2N5O3/c1-26-22(31)19-12-14(9-10-27-19)33-20-4-2-3-17-15(20)6-8-21(28-17)30-23(32)29-18-7-5-13(24)11-16(18)25/h2-12H,1H3,(H,26,31)(H2,28,29,30,32)
InChIKeyOJDNIHNKMQKCMK-UHFFFAOYSA-N
MW449.42 g/mol
LogP4.70
Rot. Bonds5

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

4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 142739462) has the molecular formula C23H17F2N5O3 and a molecular weight of 449.42 g/mol. Its IUPAC name is 4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID142739462
Molecular FormulaC23H17F2N5O3
Molecular Weight449.42 g/mol
Exact Mass449.13
IUPAC Name4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc3nc(NC(=O)Nc4ccc(F)cc4F)ccc23)ccn1
InChIInChI=1S/C23H17F2N5O3/c1-26-22(31)19-12-14(9-10-27-19)33-20-4-2-3-17-15(20)6-8-21(28-17)30-23(32)29-18-7-5-13(24)11-16(18)25/h2-12H,1H3,(H,26,31)(H2,28,29,30,32)
InChIKeyOJDNIHNKMQKCMK-UHFFFAOYSA-N
XLogP4.70
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 142739462) is 4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc3nc(NC(=O)Nc4ccc(F)cc4F)ccc23)ccn1.
What is the InChIKey of 4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is OJDNIHNKMQKCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O3/c1-26-22(31)19-12-14(9-10-27-19)33-20-4-2-3-17-15(20)6-8-21(28-17)30-23(32)29-18-7-5-13(24)11-16(18)25/h2-12H,1H3,(H,26,31)(H2,28,29,30,32).
What are the key properties of 4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 449.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 142739462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).