2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride

C76H96BCl4N11O15 — CID 169430839

About 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride

2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride (PubChem CID 169430839) has the molecular formula C76H96BCl4N11O15 and a molecular weight of 1556.29 g/mol. Its IUPAC name is 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride.

Molecular Properties

• Compound Name: 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride
• PubChem CID: 169430839
• Molecular Formula: C76H96BCl4N11O15
• Molecular Weight: 1556.29 g/mol
• Exact Mass: 1553.59
• IUPAC Name: 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride
• SMILES: C1COCCN1.CB(O)Nc1ccc(OCC(=O)N2CCOCC2)c2ccccc12.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC(=O)N3CCOCC3)c3ccccc23)cc1.Cl.Nc1ccc(OCC(=O)N2CCOCC2)c2ccccc12.O=C(CCl)N1CCOCC1.O=C(Cl)CCl
• InChI: InChI=1S/C31H35N5O4.C17H21BN2O4.C16H18N2O3.C6H10ClNO2.C4H9NO.C2H2Cl2O.ClH/c1-21-9-11-22(12-10-21)36-28(19-27(34-36)31(2,3)4)33-30(38)32-25-13-14-26(24-8-6-5-7-23(24)25)40-20-29(37)35-15-17-39-18-16-35;1-18(22)19-15-6-7-16(14-5-3-2-4-13(14)15)24-12-17(21)20-8-10-23-11-9-20;17-14-5-6-15(13-4-2-1-3-12(13)14)21-11-16(19)18-7-9-20-10-8-18;7-5-6(9)8-1-3-10-4-2-8;1-3-6-4-2-5-1;3-1-2(4)5;/h5-14,19H,15-18,20H2,1-4H3,(H2,32,33,38);2-7,19,22H,8-12H2,1H3;1-6H,7-11,17H2;1-5H2;5H,1-4H2;1H2;1H
• InChIKey: RJLSYCAJGNTZGR-UHFFFAOYSA-N
• XLogP: 9.87
• TPSA: 301.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1556.29
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride?

The IUPAC name of 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride (CID 169430839) is 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride.

What is the SMILES notation for 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride?

The canonical SMILES for 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride is C1COCCN1.CB(O)Nc1ccc(OCC(=O)N2CCOCC2)c2ccccc12.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC(=O)N3CCOCC3)c3ccccc23)cc1.Cl.Nc1ccc(OCC(=O)N2CCOCC2)c2ccccc12.O=C(CCl)N1CCOCC1.O=C(Cl)CCl.

What is the InChIKey of 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride?

The InChIKey is RJLSYCAJGNTZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O4.C17H21BN2O4.C16H18N2O3.C6H10ClNO2.C4H9NO.C2H2Cl2O.ClH/c1-21-9-11-22(12-10-21)36-28(19-27(34-36)31(2,3)4)33-30(38)32-25-13-14-26(24-8-6-5-7-23(24)25)40-20-29(37)35-15-17-39-18-16-35;1-18(22)19-15-6-7-16(14-5-3-2-4-13(14)15)24-12-17(21)20-8-10-23-11-9-20;17-14-5-6-15(13-4-2-1-3-12(13)14)21-11-16(19)18-7-9-20-10-8-18;7-5-6(9)8-1-3-10-4-2-8;1-3-6-4-2-5-1;3-1-2(4)5;/h5-14,19H,15-18,20H2,1-4H3,(H2,32,33,38);2-7,19,22H,8-12H2,1H3;1-6H,7-11,17H2;1-5H2;5H,1-4H2;1H2;1H.

What are the key properties of 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride?

2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride has a molecular weight of 1556.29 g/mol, XLogP of 9.87, 16 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminonaphthalen-1-yl)oxy-1-morpholin-4-ylethanone;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]urea;2-chloroacetyl chloride;2-chloro-1-morpholin-4-ylethanone;methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]boronamidic acid;morpholine;hydrochloride is sourced from PubChem (CID 169430839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).