N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine

C21H30BN3O3 — CID 90387987

IUPACN-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine
SMILESCC1(C)OB(c2cc(NCCN3CCOCC3)nc3ccccc23)OC1(C)C
InChIInChI=1S/C21H30BN3O3/c1-20(2)21(3,4)28-22(27-20)17-15-19(24-18-8-6-5-7-16(17)18)23-9-10-25-11-13-26-14-12-25/h5-8,15H,9-14H2,1-4H3,(H,23,24)
InChIKeyUXKLQBRDOMLUPS-UHFFFAOYSA-N
MW383.30 g/mol
LogP2.28
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine

N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine (PubChem CID 90387987) has the molecular formula C21H30BN3O3 and a molecular weight of 383.30 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine
PubChem CID90387987
Molecular FormulaC21H30BN3O3
Molecular Weight383.30 g/mol
Exact Mass383.24
IUPAC NameN-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine
SMILESCC1(C)OB(c2cc(NCCN3CCOCC3)nc3ccccc23)OC1(C)C
InChIInChI=1S/C21H30BN3O3/c1-20(2)21(3,4)28-22(27-20)17-15-19(24-18-8-6-5-7-16(17)18)23-9-10-25-11-13-26-14-12-25/h5-8,15H,9-14H2,1-4H3,(H,23,24)
InChIKeyUXKLQBRDOMLUPS-UHFFFAOYSA-N
XLogP2.28
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Quipazine
CID 5011
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
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CID 11624425
2-[(2-Methoxymethyl)piperazin-1-yl]-6-nitroquinoline
CID 11779676
4-Phenanthridin-6-ylmorpholine
CID 823944
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]cyclopropanecarboxamide
CID 16003777
6-Piperazin-1-yl-7,8,9,10-tetrahydro-phenanthridine
CID 399481
2-[2-(Ethoxymethyl)piperazin-1-yl]-6-nitroquinoline
CID 44428393
2-(2-Morpholin-4-yl-quinolin-3-ylmethylene)-malononitrile
CID 921753
2,6-Dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 5070263
4-Methyl-2-morpholinoquinoline
CID 812365

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine (CID 90387987) is N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine is CC1(C)OB(c2cc(NCCN3CCOCC3)nc3ccccc23)OC1(C)C.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
The InChIKey is UXKLQBRDOMLUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30BN3O3/c1-20(2)21(3,4)28-22(27-20)17-15-19(24-18-8-6-5-7-16(17)18)23-9-10-25-11-13-26-14-12-25/h5-8,15H,9-14H2,1-4H3,(H,23,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine has a molecular weight of 383.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine is sourced from PubChem (CID 90387987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).