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2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C28H26F3N5O2 — CID 156830564

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCOc1ccnc2c1CCC[C@H]2N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(C)cc2c1
InChIInChI=1S/C28H26F3N5O2/c1-16-12-18-13-17(6-9-22(18)35-26(16)32)27(37)36(15-20-8-7-19(14-34-20)28(29,30)31)23-5-3-4-21-24(38-2)10-11-33-25(21)23/h6-14,23H,3-5,15H2,1-2H3,(H2,32,35)/t23-/m1/s1
InChIKeyZRBYQJQIUOJPJQ-HSZRJFAPSA-N
MW521.54 g/mol
LogP5.66
Rot. Bonds5

About 2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830564) has the molecular formula C28H26F3N5O2 and a molecular weight of 521.54 g/mol. Its IUPAC name is 2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID156830564
Molecular FormulaC28H26F3N5O2
Molecular Weight521.54 g/mol
Exact Mass521.20
IUPAC Name2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCOc1ccnc2c1CCC[C@H]2N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(C)cc2c1
InChIInChI=1S/C28H26F3N5O2/c1-16-12-18-13-17(6-9-22(18)35-26(16)32)27(37)36(15-20-8-7-19(14-34-20)28(29,30)31)23-5-3-4-21-24(38-2)10-11-33-25(21)23/h6-14,23H,3-5,15H2,1-2H3,(H2,32,35)/t23-/m1/s1
InChIKeyZRBYQJQIUOJPJQ-HSZRJFAPSA-N
XLogP5.66
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830564) is 2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is COc1ccnc2c1CCC[C@H]2N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(C)cc2c1.
What is the InChIKey of 2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is ZRBYQJQIUOJPJQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H26F3N5O2/c1-16-12-18-13-17(6-9-22(18)35-26(16)32)27(37)36(15-20-8-7-19(14-34-20)28(29,30)31)23-5-3-4-21-24(38-2)10-11-33-25(21)23/h6-14,23H,3-5,15H2,1-2H3,(H2,32,35)/t23-/m1/s1.
What are the key properties of 2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 521.54 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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