(2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline

C20H30BNO2 — CID 174002507

IUPAC(2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline
SMILESCC1Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2N(C)[C@H]1C1CC1
InChIInChI=1S/C20H30BNO2/c1-13-11-15-12-16(21-23-19(2,3)20(4,5)24-21)9-10-17(15)22(6)18(13)14-7-8-14/h9-10,12-14,18H,7-8,11H2,1-6H3/t13?,18-/m1/s1
InChIKeyKWAOXZDRBSUYOC-PQJIZZRHSA-N
MW327.28 g/mol
LogP3.39
Rot. Bonds2

About (2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline

(2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline (PubChem CID 174002507) has the molecular formula C20H30BNO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline
PubChem CID174002507
Molecular FormulaC20H30BNO2
Molecular Weight327.28 g/mol
Exact Mass327.24
IUPAC Name(2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline
SMILESCC1Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2N(C)[C@H]1C1CC1
InChIInChI=1S/C20H30BNO2/c1-13-11-15-12-16(21-23-19(2,3)20(4,5)24-21)9-10-17(15)22(6)18(13)14-7-8-14/h9-10,12-14,18H,7-8,11H2,1-6H3/t13?,18-/m1/s1
InChIKeyKWAOXZDRBSUYOC-PQJIZZRHSA-N
XLogP3.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of (2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline (CID 174002507) is (2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline is CC1Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2N(C)[C@H]1C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is KWAOXZDRBSUYOC-PQJIZZRHSA-N. The full InChI is InChI=1S/C20H30BNO2/c1-13-11-15-12-16(21-23-19(2,3)20(4,5)24-21)9-10-17(15)22(6)18(13)14-7-8-14/h9-10,12-14,18H,7-8,11H2,1-6H3/t13?,18-/m1/s1.
What are the key properties of (2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline?
(2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 327.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 174002507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).