4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol

C26H31F3N2O2 — CID 162589476

IUPAC4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol
SMILESCC(C)c1nc2c(c(C3=CCCC3)c1[C@H](O)c1ccc(C(F)(F)F)nc1)C(O)CC(C)(C)C2
InChIInChI=1S/C26H31F3N2O2/c1-14(2)23-22(24(33)16-9-10-19(30-13-16)26(27,28)29)20(15-7-5-6-8-15)21-17(31-23)11-25(3,4)12-18(21)32/h7,9-10,13-14,18,24,32-33H,5-6,8,11-12H2,1-4H3/t18?,24-/m1/s1
InChIKeyNKEOEUSBHWIPIQ-VCUSLETLSA-N
MW460.54 g/mol
LogP6.27
Rot. Bonds4

About 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol

4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol (PubChem CID 162589476) has the molecular formula C26H31F3N2O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol.

Molecular Properties

Compound Name4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol
PubChem CID162589476
Molecular FormulaC26H31F3N2O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol
SMILESCC(C)c1nc2c(c(C3=CCCC3)c1[C@H](O)c1ccc(C(F)(F)F)nc1)C(O)CC(C)(C)C2
InChIInChI=1S/C26H31F3N2O2/c1-14(2)23-22(24(33)16-9-10-19(30-13-16)26(27,28)29)20(15-7-5-6-8-15)21-17(31-23)11-25(3,4)12-18(21)32/h7,9-10,13-14,18,24,32-33H,5-6,8,11-12H2,1-4H3/t18?,24-/m1/s1
InChIKeyNKEOEUSBHWIPIQ-VCUSLETLSA-N
XLogP6.27
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol?
The IUPAC name of 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol (CID 162589476) is 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol.
What is the SMILES notation for 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol?
The canonical SMILES for 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol is CC(C)c1nc2c(c(C3=CCCC3)c1[C@H](O)c1ccc(C(F)(F)F)nc1)C(O)CC(C)(C)C2.
What is the InChIKey of 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol?
The InChIKey is NKEOEUSBHWIPIQ-VCUSLETLSA-N. The full InChI is InChI=1S/C26H31F3N2O2/c1-14(2)23-22(24(33)16-9-10-19(30-13-16)26(27,28)29)20(15-7-5-6-8-15)21-17(31-23)11-25(3,4)12-18(21)32/h7,9-10,13-14,18,24,32-33H,5-6,8,11-12H2,1-4H3/t18?,24-/m1/s1.
What are the key properties of 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol?
4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol has a molecular weight of 460.54 g/mol, XLogP of 6.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol is sourced from PubChem (CID 162589476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).