7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide

C19H22F3N3O2 — CID 129247272

IUPAC7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCC(NCC(F)(F)F)CC3)cnc2c1
InChIInChI=1S/C19H22F3N3O2/c1-27-16-7-2-12-8-13(10-23-17(12)9-16)18(26)25-15-5-3-14(4-6-15)24-11-19(20,21)22/h2,7-10,14-15,24H,3-6,11H2,1H3,(H,25,26)
InChIKeyJGXVDOWRYMSPCA-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.44
Rot. Bonds5

About 7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide

7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide (PubChem CID 129247272) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide
PubChem CID129247272
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCC(NCC(F)(F)F)CC3)cnc2c1
InChIInChI=1S/C19H22F3N3O2/c1-27-16-7-2-12-8-13(10-23-17(12)9-16)18(26)25-15-5-3-14(4-6-15)24-11-19(20,21)22/h2,7-10,14-15,24H,3-6,11H2,1H3,(H,25,26)
InChIKeyJGXVDOWRYMSPCA-UHFFFAOYSA-N
XLogP3.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide (CID 129247272) is 7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide is COc1ccc2cc(C(=O)NC3CCC(NCC(F)(F)F)CC3)cnc2c1.
What is the InChIKey of 7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide?
The InChIKey is JGXVDOWRYMSPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-27-16-7-2-12-8-13(10-23-17(12)9-16)18(26)25-15-5-3-14(4-6-15)24-11-19(20,21)22/h2,7-10,14-15,24H,3-6,11H2,1H3,(H,25,26).
What are the key properties of 7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide?
7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]quinoline-3-carboxamide is sourced from PubChem (CID 129247272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).