N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine

C71H68Cl2FN11O8 — CID 157215547

About N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine (PubChem CID 157215547) has the molecular formula C71H68Cl2FN11O8 and a molecular weight of 1293.30 g/mol. Its IUPAC name is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine.

Molecular Properties

• Compound Name: N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine
• PubChem CID: 157215547
• Molecular Formula: C71H68Cl2FN11O8
• Molecular Weight: 1293.30 g/mol
• Exact Mass: 1291.46
• IUPAC Name: N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine
• SMILES: C1COCCN1.COC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.COC(=O)c1ccnc(Cc2ccc3ncc(N4CCOCC4)cc3c2)c1.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2ccc3ncc(N4CCOCC4)cc3c2)c1
• InChI: InChI=1S/C29H25ClFN5O2.C21H21N3O3.C17H13ClN2O2.C4H9NO/c30-25-17-34-28-14-26(31)21(13-24(25)28)15-35-29(37)19-3-4-32-22(11-19)10-18-1-2-27-20(9-18)12-23(16-33-27)36-5-7-38-8-6-36;1-26-21(25)16-4-5-22-18(12-16)11-15-2-3-20-17(10-15)13-19(14-23-20)24-6-8-27-9-7-24;1-22-17(21)12-4-5-19-15(9-12)7-11-2-3-16-13(6-11)8-14(18)10-20-16;1-3-6-4-2-5-1/h1-4,9,11-14,16-17,34H,5-8,10,15H2,(H,35,37);2-5,10,12-14H,6-9,11H2,1H3;2-6,8-10H,7H2,1H3;5H,1-4H2
• InChIKey: ASJIFPDBGUORRB-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 221.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.30
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine?

The IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine (CID 157215547) is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine.

What is the SMILES notation for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine?

The canonical SMILES for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine is C1COCCN1.COC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.COC(=O)c1ccnc(Cc2ccc3ncc(N4CCOCC4)cc3c2)c1.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2ccc3ncc(N4CCOCC4)cc3c2)c1.

What is the InChIKey of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine?

The InChIKey is ASJIFPDBGUORRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClFN5O2.C21H21N3O3.C17H13ClN2O2.C4H9NO/c30-25-17-34-28-14-26(31)21(13-24(25)28)15-35-29(37)19-3-4-32-22(11-19)10-18-1-2-27-20(9-18)12-23(16-33-27)36-5-7-38-8-6-36;1-26-21(25)16-4-5-22-18(12-16)11-15-2-3-20-17(10-15)13-19(14-23-20)24-6-8-27-9-7-24;1-22-17(21)12-4-5-19-15(9-12)7-11-2-3-16-13(6-11)8-14(18)10-20-16;1-3-6-4-2-5-1/h1-4,9,11-14,16-17,34H,5-8,10,15H2,(H,35,37);2-5,10,12-14H,6-9,11H2,1H3;2-6,8-10H,7H2,1H3;5H,1-4H2.

What are the key properties of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine?

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine has a molecular weight of 1293.30 g/mol, XLogP of 11.37, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-morpholin-4-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;morpholine is sourced from PubChem (CID 157215547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).