1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea

C98H81N17O16 — CID 91060337

IUPAC1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea
SMILESC=C1NC(=O)c2ccc(Oc3ccc(NC(=O)Nc4cc5ccccc5nc4OC)cc3)cc21.CNC(=O)c1cc(Oc2cccc(NC(=O)Nc3cc4ccccc4nc3OC)c2)ccn1.COc1nc2ccccc2cc1NC(=O)Nc1ccc(Oc2ccnc(C(C)=O)c2)cc1.COc1nc2ccccc2cc1NC(=O)Nc1cccc(Oc2ccnc(C(C)=O)c2)c1
InChIInChI=1S/C26H20N4O4.C24H21N5O4.2C24H20N4O4/c1-15-21-14-19(11-12-20(21)24(31)27-15)34-18-9-7-17(8-10-18)28-26(32)30-23-13-16-5-3-4-6-22(16)29-25(23)33-2;1-25-22(30)20-14-18(10-11-26-20)33-17-8-5-7-16(13-17)27-24(31)29-21-12-15-6-3-4-9-19(15)28-23(21)32-2;1-15(29)21-14-19(10-11-25-21)32-18-8-5-7-17(13-18)26-24(30)28-22-12-16-6-3-4-9-20(16)27-23(22)31-2;1-15(29)21-14-19(11-12-25-21)32-18-9-7-17(8-10-18)26-24(30)28-22-13-16-5-3-4-6-20(16)27-23(22)31-2/h3-14H,1H2,2H3,(H,27,31)(H2,28,30,32);3-14H,1-2H3,(H,25,30)(H2,27,29,31);2*3-14H,1-2H3,(H2,26,28,30)
InChIKeyOSFJJQFSDCIIPZ-UHFFFAOYSA-N
MW1752.83 g/mol
LogP20.38
Rot. Bonds23

About 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea

1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea (PubChem CID 91060337) has the molecular formula C98H81N17O16 and a molecular weight of 1752.83 g/mol. Its IUPAC name is 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea
PubChem CID91060337
Molecular FormulaC98H81N17O16
Molecular Weight1752.83 g/mol
Exact Mass1751.60
IUPAC Name1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea
SMILESC=C1NC(=O)c2ccc(Oc3ccc(NC(=O)Nc4cc5ccccc5nc4OC)cc3)cc21.CNC(=O)c1cc(Oc2cccc(NC(=O)Nc3cc4ccccc4nc3OC)c2)ccn1.COc1nc2ccccc2cc1NC(=O)Nc1ccc(Oc2ccnc(C(C)=O)c2)cc1.COc1nc2ccccc2cc1NC(=O)Nc1cccc(Oc2ccnc(C(C)=O)c2)c1
InChIInChI=1S/C26H20N4O4.C24H21N5O4.2C24H20N4O4/c1-15-21-14-19(11-12-20(21)24(31)27-15)34-18-9-7-17(8-10-18)28-26(32)30-23-13-16-5-3-4-6-22(16)29-25(23)33-2;1-25-22(30)20-14-18(10-11-26-20)33-17-8-5-7-16(13-17)27-24(31)29-21-12-15-6-3-4-9-19(15)28-23(21)32-2;1-15(29)21-14-19(10-11-25-21)32-18-8-5-7-17(13-18)26-24(30)28-22-12-16-6-3-4-9-20(16)27-23(22)31-2;1-15(29)21-14-19(11-12-25-21)32-18-9-7-17(8-10-18)26-24(30)28-22-13-16-5-3-4-6-20(16)27-23(22)31-2/h3-14H,1H2,2H3,(H,27,31)(H2,28,30,32);3-14H,1-2H3,(H,25,30)(H2,27,29,31);2*3-14H,1-2H3,(H2,26,28,30)
InChIKeyOSFJJQFSDCIIPZ-UHFFFAOYSA-N
XLogP20.38
TPSA420.93 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001752.83
LogP ≤ 520.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea?
The IUPAC name of 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea (CID 91060337) is 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea.
What is the SMILES notation for 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea?
The canonical SMILES for 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea is C=C1NC(=O)c2ccc(Oc3ccc(NC(=O)Nc4cc5ccccc5nc4OC)cc3)cc21.CNC(=O)c1cc(Oc2cccc(NC(=O)Nc3cc4ccccc4nc3OC)c2)ccn1.COc1nc2ccccc2cc1NC(=O)Nc1ccc(Oc2ccnc(C(C)=O)c2)cc1.COc1nc2ccccc2cc1NC(=O)Nc1cccc(Oc2ccnc(C(C)=O)c2)c1.
What is the InChIKey of 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea?
The InChIKey is OSFJJQFSDCIIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4.C24H21N5O4.2C24H20N4O4/c1-15-21-14-19(11-12-20(21)24(31)27-15)34-18-9-7-17(8-10-18)28-26(32)30-23-13-16-5-3-4-6-22(16)29-25(23)33-2;1-25-22(30)20-14-18(10-11-26-20)33-17-8-5-7-16(13-17)27-24(31)29-21-12-15-6-3-4-9-19(15)28-23(21)32-2;1-15(29)21-14-19(10-11-25-21)32-18-8-5-7-17(13-18)26-24(30)28-22-12-16-6-3-4-9-20(16)27-23(22)31-2;1-15(29)21-14-19(11-12-25-21)32-18-9-7-17(8-10-18)26-24(30)28-22-13-16-5-3-4-6-20(16)27-23(22)31-2/h3-14H,1H2,2H3,(H,27,31)(H2,28,30,32);3-14H,1-2H3,(H,25,30)(H2,27,29,31);2*3-14H,1-2H3,(H2,26,28,30).
What are the key properties of 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea?
1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea has a molecular weight of 1752.83 g/mol, XLogP of 20.38, 23 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-(2-methoxyquinolin-3-yl)-3-[4-(3-methylidene-1-oxoisoindol-5-yl)oxyphenyl]urea is sourced from PubChem (CID 91060337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).