(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride

C68H49Cl7F3N15O7 — CID 159001102

About (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride

(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride (PubChem CID 159001102) has the molecular formula C68H49Cl7F3N15O7 and a molecular weight of 1493.40 g/mol. Its IUPAC name is (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride
• PubChem CID: 159001102
• Molecular Formula: C68H49Cl7F3N15O7
• Molecular Weight: 1493.40 g/mol
• Exact Mass: 1489.17
• IUPAC Name: (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride
• SMILES: CCOC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.Cl.NCc1ccc2[nH]cc(Cl)c2c1F.O=C(NCc1ccc2[nH]cc(Cl)c2c1F)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.O=C(NCc1ccc2[nH]cc(Cl)c2c1F)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1
• InChI: InChI=1S/2C22H14Cl2FN5O2.C15H12ClN3O3.C9H8ClFN2.ClH/c2*23-14-7-13-5-11(1-3-16(13)26-9-14)6-18-29-30-22(32-18)21(31)28-8-12-2-4-17-19(20(12)25)15(24)10-27-17;1-2-21-15(20)14-19-18-13(22-14)6-9-3-4-12-10(5-9)7-11(16)8-17-12;10-6-4-13-7-2-1-5(3-12)9(11)8(6)7;/h2*1-5,7,9-10,27H,6,8H2,(H,28,31);3-5,7-8H,2,6H2,1H3;1-2,4,13H,3,12H2;1H
• InChIKey: RHJZDQLLWQVSBR-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 313.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1493.40
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

The IUPAC name of (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride (CID 159001102) is (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride.

What is the SMILES notation for (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

The canonical SMILES for (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride is CCOC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.Cl.NCc1ccc2[nH]cc(Cl)c2c1F.O=C(NCc1ccc2[nH]cc(Cl)c2c1F)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.O=C(NCc1ccc2[nH]cc(Cl)c2c1F)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.

What is the InChIKey of (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

The InChIKey is RHJZDQLLWQVSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H14Cl2FN5O2.C15H12ClN3O3.C9H8ClFN2.ClH/c2*23-14-7-13-5-11(1-3-16(13)26-9-14)6-18-29-30-22(32-18)21(31)28-8-12-2-4-17-19(20(12)25)15(24)10-27-17;1-2-21-15(20)14-19-18-13(22-14)6-9-3-4-12-10(5-9)7-11(16)8-17-12;10-6-4-13-7-2-1-5(3-12)9(11)8(6)7;/h2*1-5,7,9-10,27H,6,8H2,(H,28,31);3-5,7-8H,2,6H2,1H3;1-2,4,13H,3,12H2;1H.

What are the key properties of (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride has a molecular weight of 1493.40 g/mol, XLogP of 16.01, 15 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chloro-4-fluoro-1H-indol-5-yl)methanamine;bis(N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride is sourced from PubChem (CID 159001102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).