N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide

C20H22F3N3O — CID 177249254

About N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide

N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide (PubChem CID 177249254) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
• PubChem CID: 177249254
• Molecular Formula: C20H22F3N3O
• Molecular Weight: 377.41 g/mol
• Exact Mass: 377.17
• IUPAC Name: N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
• SMILES: C[C@H](CN)NC(=O)c1cnc2cccc(C3=CCC(C(F)(F)F)CC3)c2c1
• InChI: InChI=1S/C20H22F3N3O/c1-12(10-24)26-19(27)14-9-17-16(3-2-4-18(17)25-11-14)13-5-7-15(8-6-13)20(21,22)23/h2-5,9,11-12,15H,6-8,10,24H2,1H3,(H,26,27)/t12-,15?/m1/s1
• InChIKey: VOEFLHUSJHJNKT-KEKZHRQWSA-N
• XLogP: 4.06
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.41
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?

The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide (CID 177249254) is N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide.

What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?

The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide is C[C@H](CN)NC(=O)c1cnc2cccc(C3=CCC(C(F)(F)F)CC3)c2c1.

What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?

The InChIKey is VOEFLHUSJHJNKT-KEKZHRQWSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-12(10-24)26-19(27)14-9-17-16(3-2-4-18(17)25-11-14)13-5-7-15(8-6-13)20(21,22)23/h2-5,9,11-12,15H,6-8,10,24H2,1H3,(H,26,27)/t12-,15?/m1/s1.

What are the key properties of N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?

N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide is sourced from PubChem (CID 177249254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).